 Entering Gaussian System, Link 0=g16
 Input=35_ZrEnThind2Cl2_STD_B3LYPDBJ-augccpVDZr.in
 Output=35_ZrEnThind2Cl2_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/35_ZrEnThind2Cl2_STD/Gau-46432.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/35_ZrEnThind2Cl2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     46434.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=35_ZrEnThind2Cl2_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 19:22:28 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "35_ZrEnThind2Cl2_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.918209000000      1.527121000000     -0.682574000000
  C                                                 2.052734000000      0.968458000000      0.412061000000
  C                                                 2.364189000000     -0.241441000000      1.088305000000
  C                                                 3.577190000000     -1.064866000000      0.781263000000
  C                                                 4.282075000000     -0.590418000000     -0.495594000000
  C                                                 4.329790000000      0.935431000000     -0.589615000000
  C                                                 1.425242000000     -0.413216000000      2.122923000000
  C                                                 0.552885000000      0.704830000000      2.114383000000
  C                                                 0.945006000000      1.572201000000      1.068423000000
  C                                                 0.305502000000      2.879578000000      0.707900000000
  C                                                -0.228659000000      2.866811000000     -0.734154000000
  C                                                -0.880051000000      1.559894000000     -1.081878000000
  C                                                -2.024720000000      0.983630000000     -0.466414000000
  C                                                -2.339028000000     -0.221680000000     -1.155258000000
  C                                                -1.360182000000     -0.422752000000     -2.143889000000
  C                                                -0.461006000000      0.671681000000     -2.101673000000
  C                                                -2.923964000000      1.573874000000      0.582126000000
  C                                                -3.996477000000      0.575127000000      1.033762000000
  C                                                -4.616608000000     -0.165400000000     -0.152513000000
  C                                                -3.574096000000     -1.023204000000     -0.880509000000
  Zr                                               -0.005023000000     -0.523739000000      0.027195000000
  Cl                                                1.213296000000     -2.195185000000     -1.256229000000
  Cl                                               -1.343389000000     -1.980750000000      1.446553000000
  H                                                -0.277937000000      0.863268000000      2.783840000000
  H                                                 1.369460000000     -1.251612000000      2.797258000000
  H                                                 2.504590000000      1.300958000000     -1.669618000000
  H                                                 2.954314000000      2.616832000000     -0.606795000000
  H                                                 4.913581000000      1.242678000000     -1.459626000000
  H                                                 4.833706000000      1.343637000000      0.292621000000
  H                                                 3.751294000000     -0.985239000000     -1.363847000000
  H                                                 5.292611000000     -1.002096000000     -0.525206000000
  H                                                 4.261950000000     -0.975336000000      1.631792000000
  H                                                 3.315779000000     -2.120544000000      0.697471000000
  H                                                 1.021760000000      3.697458000000      0.830692000000
  H                                                -0.506727000000      3.076990000000      1.407133000000
  H                                                 0.592017000000      3.037050000000     -1.431518000000
  H                                                -0.933558000000      3.690636000000     -0.878353000000
  H                                                 0.395438000000      0.811580000000     -2.742403000000
  H                                                -1.295578000000     -1.267115000000     -2.809824000000
  H                                                -3.406189000000      2.463482000000      0.158864000000
  H                                                -2.357455000000      1.923597000000      1.446719000000
  H                                                -4.768108000000      1.104982000000      1.595817000000
  H                                                -3.546694000000     -0.153881000000      1.710871000000
  H                                                -5.437416000000     -0.798932000000      0.188491000000
  H                                                -5.045634000000      0.562275000000     -0.849812000000
  H                                                -3.330020000000     -1.893359000000     -0.267538000000
  H                                                -3.976897000000     -1.400798000000     -1.822775000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     47 NQM=       47 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          90          35          35           1           1           1           1           1           1           1
 AtmWgt=  89.9043000  34.9688527  34.9688527   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           3           3           1           1           1           1           1           1           1
 AtZEff= 192.0000000  14.2400000  14.2400000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000  -8.1650000  -8.1650000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   0.8218740   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=  40.0000000  17.0000000  17.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.503122   0.000000
     3  C    2.563350   1.420622   0.000000
     4  C    3.048848   2.568011   1.497890   0.000000
     5  C    2.525681   2.867733   2.511734   1.533730   0.000000
     6  C    1.533395   2.487856   2.839724   2.539075   1.529487
     7  C    3.723529   2.286880   1.407680   2.618316   3.879372
     8  C    3.754183   2.284064   2.286720   3.749060   4.732495
     9  C    2.638475   1.422103   2.302992   3.736974   4.273067
    10  C    3.254043   2.606285   3.758146   5.125228   5.413169
    11  C    3.420557   3.181557   4.439082   5.677945   5.688239
    12  C    3.819332   3.344081   4.298790   5.497968   5.622732
    13  C    4.977414   4.171041   4.814610   6.093803   6.500319
    14  C    5.560600   4.812535   5.210971   6.281935   6.664093
    15  C    4.923624   4.485124   4.934662   5.774640   5.880481
    16  C    3.763604   3.567327   4.357921   5.256800   5.164223
    17  C    5.977678   5.016271   5.613924   7.019089   7.600831
    18  C    7.187836   6.093782   6.413098   7.753307   8.498932
    19  C    7.740740   6.788557   7.090623   8.295740   8.915431
    20  C    6.978063   6.107264   6.304809   7.341942   7.877492
    21  Zr   3.640753   2.570824   2.611286   3.700498   4.319371
    22  Cl   4.134171   3.673756   3.261673   3.319185   3.545595
    23  Cl   5.916042   4.615371   4.110921   5.049114   6.111530
    24  H    4.761520   3.326925   3.328070   4.752896   5.801862
    25  H    4.714786   3.329375   2.220462   2.995527   4.445602
    26  H    1.093840   2.155949   3.163044   3.571332   2.848699
    27  H    1.092939   2.137300   3.375105   3.983664   3.473006
    28  H    2.160145   3.429702   3.897943   3.483143   2.165271
    29  H    2.157267   2.808706   3.040411   2.760161   2.160127
    30  H    2.733151   3.139409   2.913820   2.153636   1.091547
    31  H    3.472677   3.906194   3.428946   2.157190   1.091576
    32  H    3.663908   3.185391   2.106057   1.095587   2.162022
    33  H    3.920210   3.349429   2.142266   1.090785   2.167583
    34  H    3.255281   2.947134   4.169341   5.404849   5.547483
    35  H    4.301065   3.462213   4.399522   5.850219   6.324783
    36  H    2.872625   3.132339   4.498734   5.534742   5.258422
    37  H    4.422130   4.241858   5.495826   6.761359   6.758458
    38  H    3.334557   3.566775   4.433865   5.104980   4.703158
    39  H    5.485339   5.156503   5.444383   6.056458   6.076495
    40  H    6.448473   5.665602   6.440321   7.848834   8.298435
    41  H    5.702956   4.629533   5.206705   6.677855   7.360449
    42  H    8.027997   6.924146   7.275994   8.661163   9.442150
    43  H    7.095725   5.856633   5.944223   7.241808   8.145470
    44  H    8.716980   7.699091   7.873087   9.037988   9.745766
    45  H    8.023820   7.221090   7.701151   8.925306   9.405335
    46  H    7.135286   6.133995   6.082036   7.035335   7.726167
    47  H    7.577285   6.853052   7.073038   7.997380   8.404091
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.196798   0.000000
     8  C    4.650784   1.418135   0.000000
     9  C    3.822477   2.298799   1.414257   0.000000
    10  C    4.653831   3.754810   2.601715   1.499392   0.000000
    11  C    4.952835   4.653693   3.660483   2.510535   1.537859
    12  C    5.270173   4.413421   3.605624   2.820422   2.520001
    13  C    6.355887   4.534102   3.658181   3.394321   3.225456
    14  C    6.792054   4.995286   4.462301   4.352889   4.481372
    15  C    6.052785   5.095524   4.802515   4.428620   4.670395
    16  C    5.030667   4.752067   4.336381   3.582920   3.654592
    17  C    7.375468   5.023761   3.897631   3.899412   3.485704
    18  C    8.490695   5.617662   4.677741   5.041192   4.891186
    19  C    9.024463   6.460880   5.711372   5.953276   5.851442
    20  C    8.148146   5.863964   5.384000   5.563879   5.727655
    21  Zr   4.615218   2.539675   2.485356   2.525802   3.484588
    22  Cl   4.467400   3.826095   4.495248   4.434995   5.516803
    23  Cl   6.695898   3.252685   3.354727   4.243017   5.185291
    24  H    5.711090   2.228686   1.078675   2.222798   2.952191
    25  H    5.001762   1.077380   2.227280   3.338106   4.750174
    26  H    2.152062   4.299622   4.299207   3.162711   3.602863
    27  H    2.172404   4.355527   4.102124   2.816900   2.968781
    28  H    1.091848   5.267367   5.663788   4.716906   5.349019
    29  H    1.094945   4.249019   4.695990   3.971914   4.799604
    30  H    2.150132   4.230283   5.018390   4.509067   5.576955
    31  H    2.164529   4.723972   5.687357   5.297955   6.438882
    32  H    2.930918   2.933275   4.100368   4.220124   5.600662
    33  H    3.467534   2.919077   4.198090   4.403923   5.836360
    34  H    4.537524   4.327852   3.289913   2.139889   1.094089
    35  H    5.653775   4.052949   2.692605   2.118170   1.089777
    36  H    4.369960   5.023211   4.244313   2.918919   2.164255
    37  H    5.947887   5.604748   4.481185   3.436089   2.170088
    38  H    4.486531   5.121720   4.860510   3.924661   4.023592
    39  H    6.436249   5.697719   5.617223   5.303087   5.668589
    40  H    7.920892   5.956143   4.753018   4.533716   3.775080
    41  H    7.059913   4.497415   3.225096   3.342579   2.924225
    42  H    9.358237   6.398465   5.361156   5.756397   5.447853
    43  H    8.277550   4.995717   4.207939   4.854634   5.004722
    44  H    9.950466   7.140510   6.469472   6.865265   6.839761
    45  H    9.386454   7.187557   6.336418   6.370820   6.035811
    46  H    8.171810   5.524278   5.244148   5.663104   6.078604
    47  H    8.716633   6.762171   6.360331   6.436061   6.562383
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.501085   0.000000
    13  C    2.616083   1.421669   0.000000
    14  C    3.764275   2.303911   1.423400   0.000000
    15  C    3.753521   2.299843   2.287672   1.405689   0.000000
    16  C    2.596669   1.415805   2.283985   2.284899   1.417069
    17  C    3.266336   2.635656   1.502153   2.566061   3.723317
    18  C    4.751189   3.893303   2.511021   2.858994   4.247738
    19  C    5.365324   4.219267   2.852488   2.489184   3.825718
    20  C    5.132795   3.737756   2.568934   1.497772   2.618795
    21  Zr   3.482168   2.517388   2.568071   2.633821   2.561300
    22  Cl   5.289197   4.302687   4.605803   4.064963   3.248422
    23  Cl   5.431110   4.375363   3.593216   3.294699   3.913938
    24  H    4.048814   3.973865   3.691868   4.576210   5.206497
    25  H    5.655640   5.292689   5.212324   5.516886   5.705514
    26  H    3.285976   3.445037   4.697132   5.103296   4.258236
    27  H    3.195313   4.005643   5.241930   6.031371   5.496963
    28  H    5.441208   5.814593   7.013815   7.405223   6.527019
    29  H    5.385338   5.880734   6.909685   7.482960   6.886288
    30  H    5.574480   5.292123   6.167996   6.141543   5.201158
    31  H    6.745111   6.706373   7.582209   7.697268   6.871348
    32  H    6.365953   6.342836   6.911023   7.204759   6.794813
    33  H    6.283813   5.858045   6.285814   6.246209   5.728912
    34  H    2.168471   3.441510   4.281167   5.531594   5.612300
    35  H    2.169472   2.938729   3.193217   4.561184   5.058294
    36  H    1.090324   2.114526   3.463419   4.391659   4.035936
    37  H    1.093784   2.141109   2.947577   4.166322   4.324760
    38  H    2.940499   2.223553   3.326694   3.326253   2.228003
    39  H    4.747217   3.339227   3.330026   2.217952   1.077308
    40  H    3.325185   2.955890   2.118818   3.174247   4.221275
    41  H    3.190240   2.951068   2.157389   3.372364   4.403677
    42  H    5.398093   4.742782   3.434196   3.902419   5.285199
    43  H    5.109998   4.224625   2.889793   3.110908   4.439854
    44  H    6.435845   5.286537   3.905499   3.426206   4.712255
    45  H    5.341115   4.289660   3.074159   2.834360   4.028333
    46  H    5.700473   4.311665   3.165506   2.136498   3.092514
    47  H    5.783327   4.347997   3.366928   2.125679   2.811918
                   16         17         18         19         20
    16  C    0.000000
    17  C    3.752718   0.000000
    18  C    4.726503   1.533543   0.000000
    19  C    4.665722   2.535707   1.529768   0.000000
    20  C    3.749027   3.050703   2.529328   1.533831   0.000000
    21  Zr   2.483753   3.637052   4.260562   4.628976   3.716406
    22  Cl   3.425928   5.890864   6.329330   6.271044   4.943058
    23  Cl   4.517067   3.985073   3.706991   4.070193   3.362762
    24  H    4.892694   3.514821   4.119871   5.338951   5.277395
    25  H    5.572180   5.596755   5.936343   6.761214   6.165784
    26  H    3.062257   5.883369   7.078062   7.427198   6.555520
    27  H    4.205078   6.087319   7.427885   8.078740   7.479634
    28  H    5.442834   8.105896   9.276408   9.721920   8.803991
    29  H    5.849628   7.766484   8.894494   9.580385   8.813019
    30  H    4.586201   7.409112   8.259009   8.494778   7.341416
    31  H    6.196038   8.681815   9.550140   9.951461   8.873848
    32  H    6.241614   7.696599   8.423965   9.092224   8.229068
    33  H    5.467708   7.252339   7.800565   8.213880   7.152940
    34  H    4.466843   4.487776   5.913788   6.905039   6.806963
    35  H    4.254330   2.963618   4.310114   5.462299   5.608355
    36  H    2.674497   4.307873   5.761332   6.246704   5.843438
    37  H    3.291490   3.251983   4.769073   5.381516   5.403030
    38  H    1.078704   4.759413   5.796917   5.725611   4.752923
    39  H    2.226414   4.714678   5.045975   4.393668   2.995562
    40  H    4.122461   1.096856   2.163278   2.910857   3.642179
    41  H    4.213656   1.091219   2.162244   3.467740   3.947131
    42  H    5.693005   2.155991   1.091818   2.166444   3.476641
    43  H    4.973783   2.155689   1.091895   2.148732   2.733445
    44  H    5.672055   3.478879   2.163060   1.091500   2.159866
    45  H    4.753729   2.752319   2.156095   1.095354   2.163356
    46  H    4.263182   3.592842   2.868967   2.157402   1.092006
    47  H    4.090775   3.967479   3.473394   2.173756   1.092104
                   21         22         23         24         25
    21  Zr   0.000000
    22  Cl   2.434175   0.000000
    23  Cl   2.434888   3.726614   0.000000
    24  H    3.097961   5.282052   3.318428   0.000000
    25  H    3.176830   4.164790   3.116985   2.680823   0.000000
    26  H    3.536503   3.749846   5.940292   5.269470   5.268502
    27  H    4.361514   5.158335   6.619989   5.001884   5.391122
    28  H    5.433556   5.054936   7.614856   6.715863   6.074812
    29  H    5.193346   5.294296   7.109122   5.706647   5.000952
    30  H    4.032108   2.813714   5.902981   6.070831   4.801967
    31  H    5.347794   4.312617   6.991573   6.742431   5.147051
    32  H    4.581018   4.372984   5.697806   5.031725   3.130677
    33  H    3.745235   2.871054   4.721071   5.115747   2.992040
    34  H    4.417963   6.254212   6.181849   3.679216   5.336813
    35  H    3.888597   6.152057   5.126626   2.616913   4.918264
    36  H    3.894036   5.271906   6.099787   4.821970   6.072856
    37  H    4.409439   6.276517   6.143107   4.672848   6.575699
    38  H    3.100664   3.452280   5.326160   5.567357   5.991104
    39  H    3.204187   3.093448   4.316052   6.071507   6.208223
    40  H    4.528659   6.711580   5.066013   4.386017   6.600748
    41  H    3.679462   6.084452   4.033888   2.690090   5.078957
    42  H    5.272598   7.402869   4.612236   4.650963   6.683318
    43  H    3.938908   5.968929   2.874346   3.587566   5.153040
    44  H    5.441750   6.947569   4.443025   6.009906   7.303708
    45  H    5.230328   6.851494   5.044491   6.002080   7.598996
    46  H    3.608093   4.659434   2.625347   5.121046   5.647117
    47  H    4.468490   5.281111   4.237949   6.326863   7.067566
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.750248   0.000000
    28  H    2.418828   2.540541   0.000000
    29  H    3.045814   2.441739   1.756970   0.000000
    30  H    2.621920   3.766062   2.514697   3.056005   0.000000
    31  H    3.792993   4.309400   2.460857   2.526242   1.754782
    32  H    4.378257   4.429995   3.860191   2.738233   3.038868
    33  H    4.238846   4.926916   4.303173   3.803755   2.393245
    34  H    3.767432   2.639865   5.139822   4.512308   5.847564
    35  H    4.657115   4.030689   6.400215   5.724236   6.504674
    36  H    2.593963   2.537163   4.679367   4.881826   5.115117
    37  H    4.261165   4.042567   6.365486   6.335686   6.636818
    38  H    2.416378   3.790462   4.716458   5.403025   4.048548
    39  H    4.726134   6.164411   6.831965   7.349103   5.257492
    40  H    6.295404   6.408256   8.563203   8.316719   8.089616
    41  H    5.808504   5.736932   7.859927   7.306237   7.326488
    42  H    7.974560   8.171474  10.153314   9.692786   9.257907
    43  H    7.082535   7.437172   9.142138   8.630475   7.962768
    44  H    8.422444   9.095112  10.678371  10.492730   9.320775
    45  H    7.630440   8.263137  10.001039   9.975823   8.946786
    46  H    6.797953   7.742724   8.900155   8.799906   7.222990
    47  H    7.023718   8.103187   9.282265   9.467500   7.752950
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.390736   0.000000
    33  H    2.579482   1.754906   0.000000
    34  H    6.493415   5.742438   6.255351   0.000000
    35  H    7.348823   6.261956   6.490727   1.747437   0.000000
    36  H    6.263520   6.241115   6.209046   2.395498   3.044137
    37  H    7.804590   7.420608   7.369525   2.596950   2.404619
    38  H    5.673419   6.105454   5.381308   4.635470   4.812965
    39  H    6.978105   7.120337   5.856114   6.578024   6.105429
    40  H    9.388680   8.532019   8.154032   4.645512   3.215812
    41  H    8.424469   7.228733   7.007284   3.865898   2.181072
    42  H   10.495551   9.266659   8.749873   6.389751   4.699339
    43  H    9.157119   7.852131   7.210290   6.039727   4.446592
    44  H   10.755655   9.807749   8.867026   7.896259   6.389018
    45  H   10.460972   9.754677   8.916548   7.033259   5.658557
    46  H    8.672399   7.879608   6.719338   7.169472   5.956499
    47  H    9.368374   8.943917   7.749374   7.617065   6.521117
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.749441   0.000000
    38  H    2.590324   3.678298   0.000000
    39  H    4.897814   5.333004   2.680495   0.000000
    40  H    4.340961   2.948835   5.059496   5.213937   0.000000
    41  H    4.268889   3.248980   5.134564   5.424609   1.746393
    42  H    6.452022   5.245083   6.750440   6.090565   2.401079
    43  H    6.097998   5.320984   6.025294   5.171411   3.046154
    44  H    7.327568   6.448187   6.723546   5.134580   3.843190
    45  H    6.184335   5.166878   5.766222   4.609906   2.705512
    46  H    6.406727   6.107137   5.226920   3.315774   4.378320
    47  H    6.381422   6.006375   4.985744   2.860351   4.380098
                   41         42         43         44         45
    41  H    0.000000
    42  H    2.550217   0.000000
    43  H    2.408315   1.757790   0.000000
    44  H    4.299007   2.460372   2.511685   0.000000
    45  H    3.788609   2.520447   3.052343   1.756260   0.000000
    46  H    4.295778   3.811855   2.643262   2.418026   3.051641
    47  H    4.935969   4.311812   3.771807   2.557450   2.437727
                   46         47
    46  H    0.000000
    47  H    1.754944   0.000000
 Stoichiometry    C20H24Cl2Zr
 Framework group  C1[X(C20H24Cl2Zr)]
 Deg. of freedom   135
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3766532           0.1923391           0.1731426
 Leave Link  202 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37     38     39     40     41     42     43
 Centers:      44     45     46     47
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     13     14     15     16     17     18     19     20
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      22     23
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients=  2.4115300000D-04
     Exponent=  1.9170000000D+04 Coefficients=  1.8709500000D-03
     Exponent=  4.3630000000D+03 Coefficients=  9.7082700000D-03
     Exponent=  1.2360000000D+03 Coefficients=  3.9315300000D-02
     Exponent=  4.0360000000D+02 Coefficients=  1.2593200000D-01
     Exponent=  1.4570000000D+02 Coefficients=  2.9934100000D-01
     Exponent=  5.6810000000D+01 Coefficients=  4.2188600000D-01
     Exponent=  2.3230000000D+01 Coefficients=  2.3720100000D-01
     Exponent=  6.6440000000D+00 Coefficients=  1.9153100000D-02
     Exponent=  2.5750000000D+00 Coefficients= -3.3479200000D-03
     Exponent=  5.3710000000D-01 Coefficients=  9.2988300000D-04
     Exponent=  1.9380000000D-01 Coefficients= -3.9637900000D-04
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients= -6.7892200000D-05
     Exponent=  1.9170000000D+04 Coefficients= -5.2183600000D-04
     Exponent=  4.3630000000D+03 Coefficients= -2.7651300000D-03
     Exponent=  1.2360000000D+03 Coefficients= -1.1153700000D-02
     Exponent=  4.0360000000D+02 Coefficients= -3.8591900000D-02
     Exponent=  1.4570000000D+02 Coefficients= -9.9484800000D-02
     Exponent=  5.6810000000D+01 Coefficients= -2.0139200000D-01
     Exponent=  2.3230000000D+01 Coefficients= -1.3031300000D-01
     Exponent=  6.6440000000D+00 Coefficients=  5.0944300000D-01
     Exponent=  2.5750000000D+00 Coefficients=  6.1072500000D-01
     Exponent=  5.3710000000D-01 Coefficients=  4.2154900000D-02
     Exponent=  1.9380000000D-01 Coefficients= -9.2342700000D-03
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients=  2.0498600000D-05
     Exponent=  1.9170000000D+04 Coefficients=  1.5829800000D-04
     Exponent=  4.3630000000D+03 Coefficients=  8.3363900000D-04
     Exponent=  1.2360000000D+03 Coefficients=  3.3988000000D-03
     Exponent=  4.0360000000D+02 Coefficients=  1.1673800000D-02
     Exponent=  1.4570000000D+02 Coefficients=  3.0962200000D-02
     Exponent=  5.6810000000D+01 Coefficients=  6.2953300000D-02
     Exponent=  2.3230000000D+01 Coefficients=  4.6025700000D-02
     Exponent=  6.6440000000D+00 Coefficients= -2.1931200000D-01
     Exponent=  2.5750000000D+00 Coefficients= -4.0877300000D-01
     Exponent=  5.3710000000D-01 Coefficients=  6.3846500000D-01
     Exponent=  1.9380000000D-01 Coefficients=  5.6236200000D-01
 S 1 1.00
     Exponent=  1.9380000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.0800000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  4.1760000000D+02 Coefficients=  5.2598200000D-03
     Exponent=  9.8330000000D+01 Coefficients=  3.9833200000D-02
     Exponent=  3.1040000000D+01 Coefficients=  1.6465500000D-01
     Exponent=  1.1190000000D+01 Coefficients=  3.8732200000D-01
     Exponent=  4.2490000000D+00 Coefficients=  4.5707200000D-01
     Exponent=  1.6240000000D+00 Coefficients=  1.5163600000D-01
     Exponent=  5.3220000000D-01 Coefficients=  1.8161500000D-03
     Exponent=  1.6200000000D-01 Coefficients=  1.8829600000D-03
 P 8 1.00
     Exponent=  4.1760000000D+02 Coefficients= -1.4357000000D-03
     Exponent=  9.8330000000D+01 Coefficients= -1.0779600000D-02
     Exponent=  3.1040000000D+01 Coefficients= -4.7007500000D-02
     Exponent=  1.1190000000D+01 Coefficients= -1.1103000000D-01
     Exponent=  4.2490000000D+00 Coefficients= -1.5327500000D-01
     Exponent=  1.6240000000D+00 Coefficients=  8.9460900000D-02
     Exponent=  5.3220000000D-01 Coefficients=  5.7944400000D-01
     Exponent=  1.6200000000D-01 Coefficients=  4.8327200000D-01
 P 1 1.00
     Exponent=  1.6200000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.6600000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.9600000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      21
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients=  1.4860000000D-03
     Exponent=  1.7098100000D+01 Coefficients= -3.6592000000D-02
     Exponent=  1.0687500000D+01 Coefficients=  1.3215500000D-01
     Exponent=  3.3913400000D+00 Coefficients= -5.4645400000D-01
     Exponent=  7.8847500000D-01 Coefficients=  8.0229100000D-01
     Exponent=  3.5998200000D-01 Coefficients=  4.5830400000D-01
     Exponent=  7.7792000000D-02 Coefficients=  2.0388000000D-02
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients= -3.0800000000D-04
     Exponent=  1.7098100000D+01 Coefficients=  9.6310000000D-03
     Exponent=  1.0687500000D+01 Coefficients= -3.9043000000D-02
     Exponent=  3.3913400000D+00 Coefficients=  1.8471700000D-01
     Exponent=  7.8847500000D-01 Coefficients= -3.5846900000D-01
     Exponent=  3.5998200000D-01 Coefficients= -3.2082800000D-01
     Exponent=  7.7792000000D-02 Coefficients=  6.5604800000D-01
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients=  2.8110000000D-03
     Exponent=  1.7098100000D+01 Coefficients= -4.1292000000D-02
     Exponent=  1.0687500000D+01 Coefficients=  1.1489100000D-01
     Exponent=  3.3913400000D+00 Coefficients= -4.3480900000D-01
     Exponent=  7.8847500000D-01 Coefficients=  1.4174320000D+00
     Exponent=  3.5998200000D-01 Coefficients= -7.2861900000D-01
     Exponent=  7.7792000000D-02 Coefficients= -1.6769590000D+00
 S 1 1.00
     Exponent=  3.0234000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.1800000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients=  2.1436000000D-02
     Exponent=  4.4181900000D+00 Coefficients= -1.6041300000D-01
     Exponent=  1.0931000000D+00 Coefficients=  4.5432600000D-01
     Exponent=  5.1878600000D-01 Coefficients=  4.9911900000D-01
     Exponent=  2.3636300000D-01 Coefficients=  1.7778300000D-01
     Exponent=  8.4707000000D-02 Coefficients=  1.0404000000D-02
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients= -5.8310000000D-03
     Exponent=  4.4181900000D+00 Coefficients=  4.8152000000D-02
     Exponent=  1.0931000000D+00 Coefficients= -1.6008000000D-01
     Exponent=  5.1878600000D-01 Coefficients= -2.2013500000D-01
     Exponent=  2.3636300000D-01 Coefficients=  3.5515000000D-02
     Exponent=  8.4707000000D-02 Coefficients=  6.1817800000D-01
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients= -7.8290000000D-03
     Exponent=  4.4181900000D+00 Coefficients=  6.6008000000D-02
     Exponent=  1.0931000000D+00 Coefficients= -2.1137400000D-01
     Exponent=  5.1878600000D-01 Coefficients= -3.5754900000D-01
     Exponent=  2.3636300000D-01 Coefficients=  1.7038700000D-01
     Exponent=  8.4707000000D-02 Coefficients=  8.5184000000D-01
 P 1 1.00
     Exponent=  3.1138000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1400000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  4.3948700000D+00 Coefficients= -8.2920000000D-03
     Exponent=  1.5708900000D+00 Coefficients=  1.2784900000D-01
     Exponent=  6.9235400000D-01 Coefficients=  3.2190900000D-01
     Exponent=  2.9041400000D-01 Coefficients=  3.9981900000D-01
     Exponent=  1.1587800000D-01 Coefficients=  3.1947600000D-01
 D 5 1.00
     Exponent=  4.3948700000D+00 Coefficients=  8.4760000000D-03
     Exponent=  1.5708900000D+00 Coefficients= -1.5798900000D-01
     Exponent=  6.9235400000D-01 Coefficients= -3.9790000000D-01
     Exponent=  2.9041400000D-01 Coefficients= -2.5559900000D-01
     Exponent=  1.1587800000D-01 Coefficients=  4.9141800000D-01
 D 1 1.00
     Exponent=  4.2925000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5900000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2720000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  8.9100000000D-02 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          6
                                   No pseudopotential on this center.
    4          6
                                   No pseudopotential on this center.
    5          6
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          6
                                   No pseudopotential on this center.
   10          6
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          6
                                   No pseudopotential on this center.
   14          6
                                   No pseudopotential on this center.
   15          6
                                   No pseudopotential on this center.
   16          6
                                   No pseudopotential on this center.
   17          6
                                   No pseudopotential on this center.
   18          6
                                   No pseudopotential on this center.
   19          6
                                   No pseudopotential on this center.
   20          6
                                   No pseudopotential on this center.
   21         40           12
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2        8.6365280      150.24299400    0.00000000
                                                     2        3.7176390       18.78003600    0.00000000
                                      P - G
                                                     2        7.6267280       33.19279100    0.00000000
                                                     2        7.4532070       66.38903900    0.00000000
                                                     2        3.3583890        4.62072600    0.00000000
                                                     2        3.2297380        9.26027000    0.00000000
                                      D - G
                                                     2        5.9380860       13.99338300    0.00000000
                                                     2        5.8255440       20.99588200    0.00000000
                                                     2        2.2050190        2.28516600    0.00000000
                                                     2        2.2062920        3.44126000    0.00000000
                                      F - G
                                                     2        4.8002150       -5.23932000    0.00000000
                                                     2        4.7989920       -6.98742400    0.00000000
   22         17
                                   No pseudopotential on this center.
   23         17
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
   38          1
                                   No pseudopotential on this center.
   39          1
                                   No pseudopotential on this center.
   40          1
                                   No pseudopotential on this center.
   41          1
                                   No pseudopotential on this center.
   42          1
                                   No pseudopotential on this center.
   43          1
                                   No pseudopotential on this center.
   44          1
                                   No pseudopotential on this center.
   45          1
                                   No pseudopotential on this center.
   46          1
                                   No pseudopotential on this center.
   47          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  104 primitive shells out of 925 were deleted.
 There are   838 symmetry adapted cartesian basis functions of A   symmetry.
 There are   784 symmetry adapted basis functions of A   symmetry.
   784 basis functions,  1529 primitive gaussians,   838 cartesian basis functions
    95 alpha electrons       95 beta electrons
       nuclear repulsion energy      2554.1761945610 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   47 NActive=   47 NUniq=   47 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.1359214468 Hartrees.
 Nuclear repulsion after empirical dispersion term =     2554.0402731142 Hartrees.
 Leave Link  301 at Thu Jul  8 19:22:32 2021, MaxMem= 10737418240 cpu:              41.1 elap:               2.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   56832 LenP2D=  238453.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   784 RedAO= T EigKep=  1.08D-06  NBF=   784
 NBsUse=   781 1.00D-06 EigRej=  8.02D-07 NBFU=   781
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  40.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   838   838   838   838   838 MxSgAt=    47 MxSgA2=    47.
 Leave Link  302 at Thu Jul  8 19:22:36 2021, MaxMem= 10737418240 cpu:              57.3 elap:               3.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 19:22:37 2021, MaxMem= 10737418240 cpu:               5.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "35_ZrEnThind2Cl2_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 19:22:41 2021, MaxMem= 10737418240 cpu:              58.4 elap:               3.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10735991813 LenY= 10735288731
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 E= -1744.40451565584    
 DIIS: error= 1.40D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1744.40451565584     IErMin= 1 ErrMin= 1.40D-02
 ErrMax= 1.40D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.27D-02 BMatP= 8.27D-02
 IDIUse=3 WtCom= 8.60D-01 WtEn= 1.40D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.166 Goal=   None    Shift=    0.000
 GapD=    0.166 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=6.17D-02 MaxDP=8.73D+00              OVMax= 9.22D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.22D-02    CP:  1.17D+00
 E= -1744.40774381084     Delta-E=       -0.003228155002 Rises=F Damp=T
 DIIS: error= 1.05D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1744.40774381084     IErMin= 2 ErrMin= 1.05D-02
 ErrMax= 1.05D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-02 BMatP= 8.27D-02
 IDIUse=3 WtCom= 8.95D-01 WtEn= 1.05D-01
 Coeff-Com: -0.300D+01 0.400D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.268D+01 0.368D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 RMSDP=4.81D-02 MaxDP=6.87D+00 DE=-3.23D-03 OVMax= 2.53D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.38D-02    CP:  1.69D+00  3.00D+00
 E= -1744.41746473828     Delta-E=       -0.009720927445 Rises=F Damp=F
 DIIS: error= 2.09D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -1744.41746473828     IErMin= 3 ErrMin= 2.09D-04
 ErrMax= 2.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.35D-05 BMatP= 4.65D-02
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.09D-03
 Coeff-Com: -0.147D+01 0.195D+01 0.513D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.146D+01 0.195D+01 0.514D+00
 Gap=     0.166 Goal=   None    Shift=    0.000
 RMSDP=2.51D-04 MaxDP=3.13D-02 DE=-9.72D-03 OVMax= 2.33D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.30D-04    CP:  1.69D+00  3.00D+00  1.01D+00
 E= -1744.41751373840     Delta-E=       -0.000049000119 Rises=F Damp=F
 DIIS: error= 9.85D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1744.41751373840     IErMin= 4 ErrMin= 9.85D-05
 ErrMax= 9.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-05 BMatP= 6.35D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.724D+00 0.964D+00 0.358D+00 0.402D+00
 Coeff:     -0.724D+00 0.964D+00 0.358D+00 0.402D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=5.61D-05 MaxDP=3.09D-03 DE=-4.90D-05 OVMax= 1.43D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.95D-05    CP:  1.69D+00  3.00D+00  1.01D+00  8.68D-01
 E= -1744.41753301178     Delta-E=       -0.000019273374 Rises=F Damp=F
 DIIS: error= 2.39D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1744.41753301178     IErMin= 5 ErrMin= 2.39D-05
 ErrMax= 2.39D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-06 BMatP= 1.85D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D+00 0.207D+00 0.128D+00 0.267D+00 0.553D+00
 Coeff:     -0.156D+00 0.207D+00 0.128D+00 0.267D+00 0.553D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=1.89D-05 MaxDP=1.20D-03 DE=-1.93D-05 OVMax= 2.73D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.41D-05    CP:  1.69D+00  3.00D+00  1.01D+00  8.73D-01  7.64D-01
 E= -1744.41753485746     Delta-E=       -0.000001845688 Rises=F Damp=F
 DIIS: error= 7.22D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1744.41753485746     IErMin= 6 ErrMin= 7.22D-06
 ErrMax= 7.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-07 BMatP= 1.82D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.194D-01 0.256D-01 0.384D-01 0.113D+00 0.296D+00 0.546D+00
 Coeff:     -0.194D-01 0.256D-01 0.384D-01 0.113D+00 0.296D+00 0.546D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=6.01D-06 MaxDP=4.30D-04 DE=-1.85D-06 OVMax= 1.02D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.15D-06    CP:  1.69D+00  3.00D+00  1.01D+00  8.82D-01  7.80D-01
                    CP:  9.89D-01
 E= -1744.41753496167     Delta-E=       -0.000000104203 Rises=F Damp=F
 DIIS: error= 2.03D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1744.41753496167     IErMin= 7 ErrMin= 2.03D-06
 ErrMax= 2.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-08 BMatP= 1.13D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.445D-02-0.603D-02 0.102D-01 0.410D-01 0.121D+00 0.336D+00
 Coeff-Com:  0.494D+00
 Coeff:      0.445D-02-0.603D-02 0.102D-01 0.410D-01 0.121D+00 0.336D+00
 Coeff:      0.494D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=2.49D-06 MaxDP=2.19D-04 DE=-1.04D-07 OVMax= 4.12D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.81D-06    CP:  1.69D+00  3.00D+00  1.01D+00  8.84D-01  7.78D-01
                    CP:  1.01D+00  7.59D-01
 E= -1744.41753498044     Delta-E=       -0.000000018774 Rises=F Damp=F
 DIIS: error= 5.31D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1744.41753498044     IErMin= 8 ErrMin= 5.31D-07
 ErrMax= 5.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-09 BMatP= 1.87D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.369D-02-0.495D-02 0.225D-02 0.125D-01 0.394D-01 0.133D+00
 Coeff-Com:  0.265D+00 0.548D+00
 Coeff:      0.369D-02-0.495D-02 0.225D-02 0.125D-01 0.394D-01 0.133D+00
 Coeff:      0.265D+00 0.548D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=5.48D-07 MaxDP=2.79D-05 DE=-1.88D-08 OVMax= 1.05D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.96D-07    CP:  1.69D+00  3.00D+00  1.01D+00  8.84D-01  7.79D-01
                    CP:  1.01D+00  7.66D-01  8.89D-01
 E= -1744.41753498076     Delta-E=       -0.000000000320 Rises=F Damp=F
 DIIS: error= 2.60D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1744.41753498076     IErMin= 9 ErrMin= 2.60D-07
 ErrMax= 2.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-10 BMatP= 1.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.162D-02-0.216D-02-0.305D-04 0.219D-02 0.774D-02 0.357D-01
 Coeff-Com:  0.975D-01 0.328D+00 0.530D+00
 Coeff:      0.162D-02-0.216D-02-0.305D-04 0.219D-02 0.774D-02 0.357D-01
 Coeff:      0.975D-01 0.328D+00 0.530D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=2.23D-07 MaxDP=1.53D-05 DE=-3.20D-10 OVMax= 3.90D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.72D-07    CP:  1.69D+00  3.00D+00  1.01D+00  8.84D-01  7.79D-01
                    CP:  1.01D+00  7.72D-01  9.11D-01  7.72D-01
 E= -1744.41753498113     Delta-E=       -0.000000000373 Rises=F Damp=F
 DIIS: error= 6.30D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1744.41753498113     IErMin=10 ErrMin= 6.30D-08
 ErrMax= 6.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-11 BMatP= 1.75D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.529D-03-0.705D-03-0.205D-03 0.231D-03 0.926D-03 0.788D-02
 Coeff-Com:  0.301D-01 0.128D+00 0.295D+00 0.539D+00
 Coeff:      0.529D-03-0.705D-03-0.205D-03 0.231D-03 0.926D-03 0.788D-02
 Coeff:      0.301D-01 0.128D+00 0.295D+00 0.539D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=6.32D-08 MaxDP=3.75D-06 DE=-3.73D-10 OVMax= 1.36D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.84D-08    CP:  1.69D+00  3.00D+00  1.01D+00  8.84D-01  7.79D-01
                    CP:  1.01D+00  7.71D-01  9.08D-01  7.88D-01  7.89D-01
 E= -1744.41753498129     Delta-E=       -0.000000000154 Rises=F Damp=F
 DIIS: error= 1.57D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -1744.41753498129     IErMin=11 ErrMin= 1.57D-08
 ErrMax= 1.57D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-12 BMatP= 1.56D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-03-0.165D-03-0.121D-03-0.934D-04-0.402D-03 0.592D-03
 Coeff-Com:  0.699D-02 0.402D-01 0.111D+00 0.296D+00 0.546D+00
 Coeff:      0.124D-03-0.165D-03-0.121D-03-0.934D-04-0.402D-03 0.592D-03
 Coeff:      0.699D-02 0.402D-01 0.111D+00 0.296D+00 0.546D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=2.08D-08 MaxDP=1.51D-06 DE=-1.54D-10 OVMax= 3.10D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.60D-08    CP:  1.69D+00  3.00D+00  1.01D+00  8.84D-01  7.79D-01
                    CP:  1.01D+00  7.72D-01  9.08D-01  7.85D-01  8.02D-01
                    CP:  8.40D-01
 E= -1744.41753498139     Delta-E=       -0.000000000099 Rises=F Damp=F
 DIIS: error= 4.25D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -1744.41753498139     IErMin=12 ErrMin= 4.25D-09
 ErrMax= 4.25D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-14 BMatP= 1.46D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-04-0.135D-04-0.394D-04-0.618D-04-0.315D-03-0.544D-03
 Coeff-Com:  0.127D-03 0.594D-02 0.206D-01 0.865D-01 0.245D+00 0.642D+00
 Coeff:      0.104D-04-0.135D-04-0.394D-04-0.618D-04-0.315D-03-0.544D-03
 Coeff:      0.127D-03 0.594D-02 0.206D-01 0.865D-01 0.245D+00 0.642D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=5.37D-09 MaxDP=3.38D-07 DE=-9.91D-11 OVMax= 7.94D-08

 SCF Done:  E(RB3LYP) =  -1744.41753498     A.U. after   12 cycles
            NFock= 12  Conv=0.54D-08     -V/T= 2.0224
 KE= 1.706220428204D+03 PE=-9.189735081854D+03 EE= 3.185056845554D+03
 Leave Link  502 at Thu Jul  8 19:59:03 2021, MaxMem= 10737418240 cpu:           34871.4 elap:            2181.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   781
 NBasis=   784 NAE=    95 NBE=    95 NFC=     0 NFV=     0
 NROrb=    781 NOA=    95 NOB=    95 NVA=   686 NVB=   686

 **** Warning!!: The largest alpha MO coefficient is  0.11047415D+03

 Leave Link  801 at Thu Jul  8 19:59:05 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  40.
        14791 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          47
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.09D-12 8.33D-09 XBig12= 1.00D+00 3.36D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.09D-12 8.33D-09 XBig12= 5.11D-01 8.52D-02.
     11 vectors produced by pass  2 Test12= 1.09D-12 8.33D-09 XBig12= 2.40D-01 1.02D-01.
     11 vectors produced by pass  3 Test12= 1.09D-12 8.33D-09 XBig12= 4.14D-02 6.28D-02.
     11 vectors produced by pass  4 Test12= 1.09D-12 8.33D-09 XBig12= 8.04D-03 2.57D-02.
     11 vectors produced by pass  5 Test12= 1.09D-12 8.33D-09 XBig12= 1.21D-03 9.38D-03.
     11 vectors produced by pass  6 Test12= 1.09D-12 8.33D-09 XBig12= 2.53D-04 4.64D-03.
     11 vectors produced by pass  7 Test12= 1.09D-12 8.33D-09 XBig12= 3.50D-05 1.22D-03.
     11 vectors produced by pass  8 Test12= 1.09D-12 8.33D-09 XBig12= 2.94D-06 3.83D-04.
     11 vectors produced by pass  9 Test12= 1.09D-12 8.33D-09 XBig12= 1.56D-07 9.89D-05.
     11 vectors produced by pass 10 Test12= 1.09D-12 8.33D-09 XBig12= 5.50D-09 1.23D-05.
     11 vectors produced by pass 11 Test12= 1.09D-12 8.33D-09 XBig12= 2.14D-10 2.24D-06.
     10 vectors produced by pass 12 Test12= 1.09D-12 8.33D-09 XBig12= 8.06D-12 4.40D-07.
      8 vectors produced by pass 13 Test12= 1.09D-12 8.33D-09 XBig12= 7.74D-13 9.18D-08.
      5 vectors produced by pass 14 Test12= 1.09D-12 8.33D-09 XBig12= 3.14D-13 2.27D-08.
      2 vectors produced by pass 15 Test12= 1.09D-12 8.33D-09 XBig12= 1.09D-13 1.58D-08.
      1 vectors produced by pass 16 Test12= 1.09D-12 8.33D-09 XBig12= 5.12D-14 1.05D-08.
      1 vectors produced by pass 17 Test12= 1.09D-12 8.33D-09 XBig12= 6.80D-14 9.09D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-13
 Solved reduced A of dimension   159 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.345503D+03
      2 -0.485513D+00  0.275048D+03
      3 -0.386161D+01  0.424123D+00  0.255353D+03
 Isotropic polarizability for W=    0.085645      291.97 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.535014D+01 -0.102025D+03 -0.866001D+01
      2   0.869120D+01  0.198610D+03 -0.170157D-01
      3  -0.334106D+01 -0.965847D+02  0.867703D+01
      4   0.246345D+02  0.158826D+02 -0.314153D+02
      5  -0.150267D+02 -0.271482D+02 -0.888330D+01
      6  -0.520444D+01 -0.119712D+02  0.520123D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.397026D+01 -0.122603D+01 -0.556438D+02
      2  -0.372699D+00 -0.162776D+02 -0.199103D+01
      3   0.884615D+02 -0.456375D+01  0.186680D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.426703D+01 -0.119542D+02 -0.101786D+03
      2   0.636673D+01 -0.262108D+02 -0.554223D+01
      3   0.126659D+03 -0.719143D+01  0.219438D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.226195D+01 -0.298753D+00 -0.509522D+01
      2  -0.298753D+00  0.796158D+00  0.469858D-01
      3  -0.509522D+01  0.469858D-01 -0.463799D+01
 OR G Eigenvalues:    -7.3426     0.7778     4.9848  Iso=     0.5266
 Eigenvectors:
   (1)   0.468901   0.012114   0.883168
   (2)   0.054500   0.997604  -0.042619
   (3)   0.881568  -0.068117  -0.467117
 w=    0.085645 a.u., Optical Rotation Beta=      0.5266 au.
 Molar Mass =    426.5356 grams/mole, [Alpha] ( 5320.0 A) =       58.56 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  307720 ScalPx= 4.25D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  307720 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.96D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.81D-13 2.78D-09 XBig12= 1.00D+00 3.93D-01.
     30 vectors produced by pass  1 Test12= 1.81D-13 2.78D-09 XBig12= 1.00D+00 2.71D-01.
     30 vectors produced by pass  2 Test12= 1.81D-13 2.78D-09 XBig12= 7.44D-03 2.22D-02.
     30 vectors produced by pass  3 Test12= 1.81D-13 2.78D-09 XBig12= 7.54D-04 3.43D-03.
     30 vectors produced by pass  4 Test12= 1.81D-13 2.78D-09 XBig12= 2.61D-05 8.82D-04.
     30 vectors produced by pass  5 Test12= 1.81D-13 2.78D-09 XBig12= 6.74D-07 1.07D-04.
     30 vectors produced by pass  6 Test12= 1.81D-13 2.78D-09 XBig12= 1.28D-08 1.17D-05.
     30 vectors produced by pass  7 Test12= 1.81D-13 2.78D-09 XBig12= 1.46D-10 1.13D-06.
     30 vectors produced by pass  8 Test12= 1.81D-13 2.78D-09 XBig12= 1.43D-12 8.73D-08.
     19 vectors produced by pass  9 Test12= 1.81D-13 2.78D-09 XBig12= 1.49D-13 2.32D-08.
     10 vectors produced by pass 10 Test12= 1.81D-13 2.78D-09 XBig12= 6.47D-14 1.42D-08.
      5 vectors produced by pass 11 Test12= 1.81D-13 2.78D-09 XBig12= 2.22D-14 6.27D-09.
      5 vectors produced by pass 12 Test12= 1.81D-13 2.78D-09 XBig12= 7.91D-14 1.26D-08.
      5 vectors produced by pass 13 Test12= 1.81D-13 2.78D-09 XBig12= 1.47D-12 6.00D-08.
      5 vectors produced by pass 14 Test12= 1.81D-13 2.78D-09 XBig12= 5.62D-13 2.44D-08.
      5 vectors produced by pass 15 Test12= 1.81D-13 2.78D-09 XBig12= 3.30D-12 8.59D-08.
      4 vectors produced by pass 16 Test12= 1.81D-13 2.78D-09 XBig12= 1.59D-13 1.71D-08.
      4 vectors produced by pass 17 Test12= 1.81D-13 2.78D-09 XBig12= 3.82D-13 2.52D-08.
      4 vectors produced by pass 18 Test12= 1.81D-13 2.78D-09 XBig12= 5.24D-13 3.17D-08.
      4 vectors produced by pass 19 Test12= 1.81D-13 2.78D-09 XBig12= 3.31D-13 2.16D-08.
      4 vectors produced by pass 20 Test12= 1.81D-13 2.78D-09 XBig12= 5.29D-13 2.48D-08.
      4 vectors produced by pass 21 Test12= 1.81D-13 2.78D-09 XBig12= 9.67D-13 3.83D-08.
      3 vectors produced by pass 22 Test12= 1.81D-13 2.78D-09 XBig12= 3.23D-13 2.08D-08.
      3 vectors produced by pass 23 Test12= 1.81D-13 2.78D-09 XBig12= 4.84D-13 2.78D-08.
      3 vectors produced by pass 24 Test12= 1.81D-13 2.78D-09 XBig12= 2.27D-13 2.22D-08.
      3 vectors produced by pass 25 Test12= 1.81D-13 2.78D-09 XBig12= 4.52D-13 2.37D-08.
      3 vectors produced by pass 26 Test12= 1.81D-13 2.78D-09 XBig12= 3.20D-13 2.19D-08.
      3 vectors produced by pass 27 Test12= 1.81D-13 2.78D-09 XBig12= 2.44D-13 2.46D-08.
      3 vectors produced by pass 28 Test12= 1.81D-13 2.78D-09 XBig12= 4.94D-13 2.70D-08.
      3 vectors produced by pass 29 Test12= 1.81D-13 2.78D-09 XBig12= 3.22D-13 1.76D-08.
      3 vectors produced by pass 30 Test12= 1.81D-13 2.78D-09 XBig12= 2.05D-13 1.76D-08.
      3 vectors produced by pass 31 Test12= 1.81D-13 2.78D-09 XBig12= 2.95D-13 2.43D-08.
      2 vectors produced by pass 32 Test12= 1.81D-13 2.78D-09 XBig12= 9.94D-14 1.28D-08.
      1 vectors produced by pass 33 Test12= 1.81D-13 2.78D-09 XBig12= 9.29D-15 4.43D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   381 with    30 vectors.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  307720 ScalPx= 1.57D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  307720 ScalPx= 1.57D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  307720 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.28D+04
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.345503D+03 -0.485513D+00 -0.386161D+01
      2  -0.485513D+00  0.275048D+03  0.424123D+00
      3  -0.386161D+01  0.424123D+00  0.255353D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.397026D+01 -0.122603D+01 -0.556438D+02
      2  -0.372699D+00 -0.162776D+02 -0.199103D+01
      3   0.884615D+02 -0.456375D+01  0.186680D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.535014D+01 -0.102025D+03 -0.866001D+01
      2   0.869120D+01  0.198610D+03 -0.170157D-01
      3  -0.334106D+01 -0.965847D+02  0.867703D+01
      4   0.246345D+02  0.158826D+02 -0.314153D+02
      5  -0.150267D+02 -0.271482D+02 -0.888330D+01
      6  -0.520444D+01 -0.119712D+02  0.520123D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.525535D+01  0.653605D+00  0.106436D+01  0.591777D+00 -0.195190D+01
      2   0.653605D+00 -0.728294D+00  0.629392D-01 -0.195190D+01 -0.665996D+01
      3   0.106436D+01  0.629392D-01  0.134928D+01  0.671401D+00  0.872622D+00
                 6             7             8             9            10 
      1   0.671401D+00  0.476400D+01  0.145829D+01 -0.611990D+00  0.127447D+02
      2   0.872622D+00  0.145829D+01  0.117129D+01 -0.765084D+00  0.387484D+01
      3   0.640990D+00 -0.611990D+00 -0.765084D+00  0.428806D+01 -0.856041D+00
                11            12            13            14            15 
      1   0.387484D+01 -0.856041D+00  0.113385D+02  0.407186D+01 -0.370912D+01
      2   0.563634D+01 -0.198065D+01  0.407186D+01  0.692634D+00 -0.326502D-01
      3  -0.198065D+01  0.158603D+01 -0.370912D+01 -0.326502D-01  0.259951D+01
                16            17            18            19            20 
      1  -0.728071D+01  0.431102D-01  0.342344D+01  0.148150D+02 -0.325422D+01
      2   0.431102D-01 -0.346439D+01  0.154877D+01 -0.325422D+01  0.295305D+01
      3   0.342344D+01  0.154877D+01 -0.208951D+01  0.549530D+01 -0.149725D+01
                21            22            23            24            25 
      1   0.549530D+01 -0.115677D+02  0.377671D+00  0.383702D+01  0.393249D+01
      2  -0.149725D+01  0.377671D+00 -0.100917D+01 -0.328966D-01  0.291410D+01
      3   0.327084D+01  0.383702D+01 -0.328966D-01 -0.106618D+01 -0.259168D+01
                26            27            28            29            30 
      1   0.291410D+01 -0.259168D+01 -0.804676D+01  0.108863D+01 -0.392560D+01
      2  -0.259091D+01 -0.173832D+00  0.108863D+01  0.498676D+00  0.122083D+01
      3  -0.173832D+00  0.373630D+00 -0.392560D+01  0.122083D+01 -0.341128D+01
                31            32            33            34            35 
      1   0.273682D+01 -0.180446D+01  0.645601D+00 -0.590108D+01  0.137848D+01
      2  -0.180446D+01  0.557224D+01 -0.616078D+00  0.137848D+01  0.857218D+00
      3   0.645601D+00 -0.616078D+00 -0.425929D+00 -0.558906D+01 -0.365593D+00
                36            37            38            39            40 
      1  -0.558906D+01 -0.730020D+01  0.506413D+01  0.115809D+01  0.582705D+01
      2  -0.365593D+00  0.506413D+01 -0.952599D+00 -0.231665D+00 -0.112556D+01
      3  -0.197930D+01  0.115809D+01 -0.231665D+00  0.288376D+01 -0.608353D-01
                41            42            43            44            45 
      1  -0.112556D+01 -0.608353D-01  0.677810D-01 -0.222206D-01  0.355887D+01
      2  -0.193309D+01  0.906928D+00 -0.222206D-01  0.773275D+00  0.204380D+01
      3   0.906928D+00  0.190280D+01  0.355887D+01  0.204380D+01  0.628199D+00
                46            47            48            49            50 
      1   0.204530D+01 -0.366702D+01  0.543196D+00 -0.655008D+01 -0.137215D+01
      2  -0.366702D+01 -0.566673D+00  0.368128D+00 -0.137215D+01  0.224320D+01
      3   0.543196D+00  0.368128D+00 -0.372649D+01  0.506107D+00 -0.466522D+00
                51            52            53            54            55 
      1   0.506107D+00  0.243264D+01  0.498265D+00 -0.691268D+01  0.402958D+01
      2  -0.466522D+00  0.498265D+00 -0.449392D+00 -0.337303D+01  0.186641D+01
      3  -0.268684D+01 -0.691268D+01 -0.337303D+01  0.988483D+00  0.278372D+00
                56            57            58            59            60 
      1   0.186641D+01  0.278372D+00 -0.182308D+01 -0.389819D+00  0.189373D+01
      2  -0.272350D+01  0.402682D+00 -0.389819D+00  0.137472D+01 -0.451867D+00
      3   0.402682D+00  0.482006D+01  0.189373D+01 -0.451867D+00 -0.144519D+01
                61            62            63            64            65 
      1   0.517822D+01 -0.202730D+01  0.695201D+01 -0.176675D+01 -0.125202D+01
      2  -0.202730D+01  0.111662D+01  0.917804D+00 -0.125202D+01 -0.215046D-01
      3   0.695201D+01  0.917804D+00  0.697635D+01  0.149858D+01  0.193005D+01
                66            67            68            69            70 
      1   0.149858D+01  0.214992D+01  0.110122D+01 -0.855385D-03 -0.977648D+00
      2   0.193005D+01  0.110122D+01 -0.156551D+01  0.153500D+01 -0.923584D+00
      3   0.426632D+00 -0.855385D-03  0.153500D+01  0.437287D+01  0.204569D+01
                71            72            73            74            75 
      1  -0.923584D+00  0.204569D+01 -0.776477D+01  0.127556D+01  0.803612D-01
      2   0.480092D+01  0.300083D+01  0.127556D+01 -0.187276D+01  0.354793D+01
      3   0.300083D+01  0.874584D+01  0.803612D-01  0.354793D+01  0.215603D+00
                76            77            78            79            80 
      1   0.140222D+01  0.140175D+00 -0.263856D+00  0.375091D+00  0.253104D+01
      2   0.140175D+00  0.134720D+02  0.137283D+01  0.253104D+01  0.105309D+01
      3  -0.263856D+00  0.137283D+01  0.204136D+01 -0.998154D+00  0.831264D+00
                81            82            83            84            85 
      1  -0.998154D+00  0.559937D+00 -0.300089D+01 -0.203974D+01 -0.103509D+01
      2   0.831264D+00 -0.300089D+01 -0.486907D+01 -0.915287D+00 -0.314964D+01
      3  -0.323960D+01 -0.203974D+01 -0.915287D+00  0.167944D+01  0.399067D+00
                86            87            88            89            90 
      1  -0.314964D+01  0.399067D+00 -0.131297D+01 -0.203541D+00  0.240516D+01
      2  -0.946806D+01 -0.147997D+01 -0.203541D+00  0.180158D+01 -0.131297D+01
      3  -0.147997D+01  0.837161D-01  0.240516D+01 -0.131297D+01  0.362260D+00
                91            92            93            94            95 
      1  -0.829865D+00 -0.285885D+01  0.200856D+01 -0.718544D+00  0.292843D+01
      2  -0.285885D+01  0.475696D+01 -0.109271D+01  0.292843D+01 -0.935536D+01
      3   0.200856D+01 -0.109271D+01 -0.164888D+01  0.222959D+00  0.171758D+01
                96            97            98            99           100 
      1   0.222959D+00  0.967695D+00 -0.435281D+00 -0.239439D+01  0.937537D+01
      2   0.171758D+01 -0.435281D+00 -0.166998D+01 -0.133080D+01  0.697436D+00
      3   0.685869D-01 -0.239439D+01 -0.133080D+01 -0.391453D+00 -0.980109D-01
               101           102           103           104           105 
      1   0.697436D+00 -0.980109D-01  0.562352D+00  0.620148D+00 -0.357667D+00
      2   0.224416D+01  0.302148D+01  0.620148D+00  0.130017D+02 -0.136916D+01
      3   0.302148D+01 -0.391324D+00 -0.357667D+00 -0.136916D+01  0.179815D+01
               106           107           108           109           110 
      1   0.311310D+00  0.262834D+01  0.122071D+01 -0.123799D+02  0.461295D+01
      2   0.262834D+01 -0.110839D+01  0.121933D+01  0.461295D+01 -0.667445D+01
      3   0.122071D+01  0.121933D+01  0.332446D+01  0.119184D+00 -0.166563D+01
               111           112           113           114           115 
      1   0.119184D+00  0.108072D+02 -0.498917D+01 -0.258720D+01  0.853128D+01
      2  -0.166563D+01 -0.498917D+01  0.109334D+01  0.329944D+00 -0.371751D+00
      3  -0.618487D+00 -0.258720D+01  0.329944D+00  0.218544D+01 -0.329568D+01
               116           117           118           119           120 
      1  -0.371751D+00 -0.329568D+01 -0.162284D+02 -0.322553D+01 -0.563586D+01
      2   0.359391D+01  0.133777D+01 -0.322553D+01 -0.308129D+01 -0.128770D+01
      3   0.133777D+01  0.156316D+01 -0.563586D+01 -0.128770D+01 -0.380330D+01
               121           122           123           124           125 
      1  -0.973180D+01 -0.152050D+00  0.382139D+01 -0.433524D+01  0.292827D+01
      2  -0.152050D+00 -0.788313D+00 -0.133637D+00  0.292827D+01  0.224425D+01
      3   0.382139D+01 -0.133637D+00 -0.107998D+01  0.200476D+01 -0.298253D+00
               126           127           128           129           130 
      1   0.200476D+01 -0.285126D+01  0.265321D+01  0.817471D+00 -0.870879D+00
      2  -0.298253D+00  0.265321D+01  0.285636D+01  0.622430D+00  0.687485D+00
      3  -0.111851D+01  0.817471D+00  0.622430D+00 -0.443877D+01  0.186083D+01
               131           132           133           134           135 
      1   0.687485D+00  0.186083D+01 -0.588525D+01 -0.200364D+01 -0.670311D+01
      2   0.111107D+01  0.577970D+00 -0.200364D+01 -0.789797D+00  0.956243D+00
      3   0.577970D+00 -0.115383D+01 -0.670311D+01  0.956243D+00 -0.739419D+01
               136           137           138           139           140 
      1   0.844013D+00 -0.109443D+01 -0.133603D+01  0.219229D+01 -0.165286D+01
      2  -0.109443D+01  0.287685D+00  0.173028D+01 -0.165286D+01 -0.154290D+01
      3  -0.133603D+01  0.173028D+01 -0.258916D+00 -0.391564D+00 -0.197575D+01
               141           142           143           144           145 
      1  -0.391564D+00  0.552778D+00 -0.135151D+01 -0.180954D+01  0.543646D+01
      2  -0.197575D+01 -0.135151D+01 -0.470611D+01  0.278608D+01 -0.310205D+01
      3   0.413041D+01 -0.180954D+01  0.278608D+01 -0.889655D+01 -0.905230D+00
               146           147           148           149           150 
      1  -0.310205D+01 -0.905230D+00 -0.735053D+01  0.750704D+01 -0.387768D+00
      2   0.389930D+01 -0.139794D+01  0.750704D+01 -0.618493D+01 -0.634590D+00
      3  -0.139794D+01 -0.105450D+01 -0.387768D+00 -0.634590D+00 -0.155993D+01
               151           152           153           154           155 
      1  -0.243143D+01 -0.246239D+01 -0.202771D+00  0.101581D+01 -0.262823D+01
      2  -0.246239D+01 -0.182474D+00 -0.232632D+01 -0.262823D+01 -0.496849D+00
      3  -0.202771D+00 -0.232632D+01 -0.170042D+01 -0.276483D+01  0.355556D+01
               156           157           158           159           160 
      1  -0.276483D+01 -0.398758D+01 -0.334491D+00  0.449911D+01 -0.288741D+01
      2   0.355556D+01 -0.334491D+00  0.656225D+00 -0.168230D+01  0.423639D+01
      3   0.186374D+01  0.449911D+01 -0.168230D+01  0.517571D+00  0.206152D+01
               161           162           163           164           165 
      1   0.423639D+01  0.206152D+01  0.535026D+01  0.312379D+01  0.736869D+00
      2  -0.162851D+01  0.920548D+00  0.312379D+01  0.149460D+01 -0.302679D+01
      3   0.920548D+00 -0.166676D+01  0.736869D+00 -0.302679D+01 -0.557949D+00
               166           167           168           169           170 
      1   0.541421D+01  0.301259D+01 -0.449954D+01  0.720764D+00 -0.457528D+01
      2   0.301259D+01 -0.383330D+00  0.955385D+00 -0.457528D+01  0.730965D+00
      3  -0.449954D+01  0.955385D+00 -0.179147D+01  0.627345D+00 -0.200884D+01
               171           172           173           174           175 
      1   0.627345D+00  0.427210D+01  0.624096D+00  0.673345D+00  0.401647D+01
      2  -0.200884D+01  0.624096D+00  0.658870D+00  0.250533D+01  0.287679D+01
      3   0.658725D+00  0.673345D+00  0.250533D+01  0.206727D+01  0.313498D+01
               176           177           178           179           180 
      1   0.287679D+01  0.313498D+01 -0.832520D+00  0.218366D+01  0.318734D+01
      2   0.354205D+01 -0.225320D+00  0.218366D+01 -0.926065D+00  0.313640D+01
      3  -0.225320D+00  0.237995D+01  0.318734D+01  0.313640D+01  0.282771D+01
               181           182           183           184           185 
      1  -0.113237D-01 -0.604667D+01  0.110771D+00  0.119692D+01 -0.231795D+00
      2  -0.604667D+01 -0.343908D+00 -0.328905D+01 -0.231795D+00 -0.886068D+01
      3   0.110771D+00 -0.328905D+01 -0.773721D-01 -0.336233D+01  0.316908D+00
               186           187           188           189           190 
      1  -0.336233D+01  0.172902D+00 -0.485756D+01  0.245589D+00  0.905157D+01
      2   0.316908D+00 -0.485756D+01  0.256926D+00 -0.429923D+01 -0.170896D+01
      3  -0.136000D+01  0.245589D+00 -0.429923D+01  0.235289D+00 -0.506988D+00
               191           192           193           194           195 
      1  -0.170896D+01 -0.506988D+00 -0.488252D+01  0.170745D+01  0.456854D-01
      2   0.636388D+00  0.895402D+00  0.170745D+01 -0.110173D+02 -0.286850D+01
      3   0.895402D+00  0.150623D+01  0.456854D-01 -0.286850D+01 -0.300566D+01
               196           197           198           199           200 
      1  -0.354160D+01  0.114443D+01  0.805836D+00 -0.977352D+01 -0.102395D+01
      2   0.114443D+01 -0.192494D+01 -0.343998D+01 -0.102395D+01 -0.881395D+00
      3   0.805836D+00 -0.343998D+01 -0.694812D+01  0.582376D+00  0.748357D+00
               201           202           203           204           205 
      1   0.582376D+00 -0.373012D+01 -0.204635D+01  0.338346D+00  0.379198D+01
      2   0.748357D+00 -0.204635D+01 -0.997448D+01  0.307783D+01  0.100768D+01
      3  -0.176229D+01  0.338346D+00  0.307783D+01 -0.284228D+01 -0.118270D+01
               206           207           208           209           210 
      1   0.100768D+01 -0.118270D+01 -0.204789D+01  0.105195D+01  0.254872D+01
      2   0.223646D+01 -0.322833D+01  0.105195D+01 -0.693901D+00 -0.140454D+01
      3  -0.322833D+01  0.794518D+01  0.254872D+01 -0.140454D+01 -0.416013D+01
               211           212           213           214           215 
      1   0.901203D+00 -0.494154D+00 -0.649134D+00  0.227465D+01 -0.353274D+00
      2  -0.494154D+00  0.678212D+00  0.453467D+00 -0.353274D+00  0.685224D+00
      3  -0.649134D+00  0.453467D+00 -0.962624D-01 -0.243245D+01  0.197002D+00
               216           217           218           219           220 
      1  -0.243245D+01  0.411377D+00 -0.361542D+00 -0.543169D-01 -0.980804D+00
      2   0.197002D+00 -0.361542D+00  0.311468D+00  0.130663D-02  0.952054D+00
      3   0.387225D+01 -0.543169D-01  0.130663D-02 -0.939976D+00 -0.125900D+01
               221           222           223           224           225 
      1   0.952054D+00 -0.125900D+01  0.552468D+00 -0.251465D+00 -0.398016D-01
      2  -0.338435D+01  0.354540D+01 -0.251465D+00  0.224547D+01 -0.270868D+01
      3   0.354540D+01 -0.450053D+01 -0.398016D-01 -0.270868D+01  0.422617D+01
               226           227           228           229           230 
      1  -0.856783D+00 -0.526861D+00 -0.764310D+00 -0.175059D+01 -0.819895D-01
      2  -0.526861D+00 -0.456747D+00  0.218167D+00 -0.819895D-01  0.855649D+00
      3  -0.764310D+00  0.218167D+00 -0.972892D+00  0.321543D-01 -0.694163D+00
               231           232           233           234           235 
      1   0.321543D-01 -0.419475D+01 -0.785208D+00  0.132905D+01  0.900806D-01
      2  -0.694163D+00 -0.785208D+00 -0.122817D+01  0.135506D+01  0.867927D+00
      3  -0.584803D+00  0.132905D+01  0.135506D+01 -0.589207D+01  0.191752D+00
               236           237           238           239           240 
      1   0.867927D+00  0.191752D+00  0.320031D+01  0.213659D+01 -0.778570D+00
      2   0.796329D+00 -0.714556D-01  0.213659D+01  0.900981D+01 -0.131067D+01
      3  -0.714556D-01 -0.353340D+00 -0.778570D+00 -0.131067D+01  0.743217D+00
               241           242           243           244           245 
      1   0.905678D-01 -0.628437D-01  0.179316D+00  0.605726D+01  0.216937D+01
      2  -0.628437D-01  0.680693D-01  0.960272D+00  0.216937D+01  0.125634D+01
      3   0.179316D+00  0.960272D+00 -0.460267D+00 -0.345315D+01 -0.110352D+01
               246           247           248           249           250 
      1  -0.345315D+01  0.266985D+01  0.193999D+01 -0.127027D+01 -0.633460D+01
      2  -0.110352D+01  0.193999D+01  0.121071D+01 -0.139891D+01 -0.197070D+01
      3   0.249902D+01 -0.127027D+01 -0.139891D+01  0.140040D+01  0.522525D+01
               251           252           253           254           255 
      1  -0.197070D+01  0.522525D+01  0.426778D+01  0.202788D+01  0.182172D+01
      2  -0.170491D+01  0.232001D+01  0.202788D+01  0.125245D+01  0.652817D+00
      3   0.232001D+01 -0.492672D+01  0.182172D+01  0.652817D+00  0.150040D+01
               256           257           258           259           260 
      1   0.302705D+01  0.190960D+01  0.801486D+00  0.443948D+01  0.165100D+01
      2   0.190960D+01  0.155840D+01  0.108026D+01  0.165100D+01  0.190602D+01
      3   0.801486D+00  0.108026D+01  0.112646D+01  0.304528D+01  0.176197D+01
               261           262           263           264           265 
      1   0.304528D+01 -0.225962D+01 -0.144891D+01 -0.102208D+01 -0.197846D+01
      2   0.176197D+01 -0.144891D+01 -0.419897D+00 -0.181750D+00 -0.621843D-01
      3   0.292140D+01 -0.102208D+01 -0.181750D+00 -0.115988D+01  0.116883D-01
               266           267           268           269           270 
      1  -0.621843D-01  0.116883D-01 -0.173109D+01 -0.149572D+00 -0.202249D+00
      2  -0.852312D+00 -0.921666D+00 -0.149572D+00 -0.170618D+01 -0.157230D+01
      3  -0.921666D+00 -0.115430D+01 -0.202249D+00 -0.157230D+01 -0.365900D+01
               271           272           273           274           275 
      1   0.134434D+02 -0.436887D+01 -0.168049D+01 -0.428398D+01  0.301987D+01
      2  -0.436887D+01  0.240134D+01  0.379177D+00  0.301987D+01 -0.185923D+01
      3  -0.168049D+01  0.379177D+00  0.702314D+00  0.614556D+00 -0.412847D+00
               276           277           278           279           280 
      1   0.614556D+00 -0.462497D+00  0.290956D+00  0.126873D+01  0.906060D+01
      2  -0.412847D+00  0.290956D+00 -0.181060D+00 -0.780936D+00 -0.146299D+01
      3  -0.571493D+00  0.126873D+01 -0.780936D+00 -0.355788D+00  0.407143D+01
               281           282           283           284           285 
      1  -0.146299D+01  0.407143D+01  0.249030D+00  0.144213D+01 -0.325843D-01
      2   0.725662D+00 -0.883516D+00  0.144213D+01 -0.949738D+00  0.805388D+00
      3  -0.883516D+00  0.308397D+01 -0.325843D-01  0.805388D+00  0.332400D+00
               286           287           288           289           290 
      1   0.784676D+01 -0.199857D+01  0.513306D+01 -0.163899D+00 -0.111531D+01
      2  -0.199857D+01  0.113321D+01 -0.115642D+01 -0.111531D+01 -0.452645D+00
      3   0.513306D+01 -0.115642D+01  0.516479D+01  0.530944D-01  0.151745D+00
               291           292           293           294           295 
      1   0.530944D-01 -0.345950D+01  0.229269D+01 -0.201109D+00  0.513253D+00
      2   0.151745D+00  0.229269D+01 -0.768276D+01  0.101005D+01 -0.353610D+00
      3   0.524751D-01 -0.201109D+00  0.101005D+01 -0.911519D+00  0.885293D+00
               296           297           298           299           300 
      1  -0.353610D+00  0.885293D+00  0.274298D+01  0.341137D+01  0.102608D+01
      2   0.195855D+00 -0.696630D+00  0.341137D+01  0.684978D+01  0.124611D+01
      3  -0.696630D+00  0.541334D+00  0.102608D+01  0.124611D+01  0.630523D+00
               301           302           303           304           305 
      1   0.248773D+01  0.318728D+01  0.796995D+00  0.518482D+00  0.708776D+00
      2   0.318728D+01  0.118761D+02  0.175533D+01  0.708776D+00  0.639941D+00
      3   0.796995D+00  0.175533D+01  0.115030D+01  0.476499D+00  0.186534D+01
               306           307           308           309           310 
      1   0.476499D+00 -0.306974D+01  0.138767D+01  0.155103D+01  0.473336D+00
      2   0.186534D+01  0.138767D+01 -0.138891D+01 -0.106010D+01 -0.714199D+00
      3   0.739616D+00  0.155103D+01 -0.106010D+01 -0.172266D+01 -0.493172D+00
               311           312           313           314           315 
      1  -0.714199D+00 -0.493172D+00  0.170422D+01 -0.100117D+01 -0.156165D+01
      2   0.184591D+01  0.119455D+01 -0.100117D+01  0.223034D+01  0.153707D+01
      3   0.119455D+01  0.847281D+00 -0.156165D+01  0.153707D+01  0.267596D+01
               316           317           318           319           320 
      1   0.298893D+01  0.140095D+01 -0.158268D+01  0.492047D+00  0.624384D+00
      2   0.140095D+01  0.128964D+01 -0.104761D+01  0.624384D+00  0.168175D+01
      3  -0.158268D+01 -0.104761D+01  0.181056D+01 -0.450057D+00 -0.112490D+01
               321           322           323           324           325 
      1  -0.450057D+00 -0.163708D+01 -0.103483D+01  0.156401D+01 -0.252737D+01
      2  -0.112490D+01 -0.103483D+01 -0.209644D+01  0.149297D+01  0.321627D+01
      3   0.772586D+00  0.156401D+01  0.149297D+01 -0.270609D+01 -0.105079D+01
               326           327           328           329           330 
      1   0.321627D+01 -0.105079D+01  0.233318D+01 -0.296449D+01  0.839059D+00
      2  -0.674774D+01  0.137105D+01 -0.296449D+01  0.118238D+02 -0.193808D+01
      3   0.137105D+01 -0.658949D+00  0.839059D+00 -0.193808D+01  0.122938D+01
               331           332           333           334           335 
      1  -0.553632D+00  0.759082D+00 -0.460801D+00  0.258821D+01  0.105523D+01
      2   0.759082D+00 -0.871992D+00  0.189603D+01  0.105523D+01  0.629417D+00
      3  -0.460801D+00  0.189603D+01 -0.821740D+00 -0.267218D+01 -0.127438D+01
               336           337           338           339           340 
      1  -0.267218D+01  0.890681D+00  0.503180D+00 -0.504627D+00 -0.232035D+01
      2  -0.127438D+01  0.503180D+00  0.634157D+00 -0.397565D+00 -0.320616D+00
      3   0.412702D+01 -0.504627D+00 -0.397565D+00 -0.336786D+00  0.239476D+01
               341           342           343           344           345 
      1  -0.320616D+00  0.239476D+01 -0.305518D+00 -0.450745D+00 -0.101273D+00
      2  -0.666200D+00  0.443934D-01 -0.450745D+00 -0.329685D+00 -0.981799D-02
      3   0.443934D-01 -0.353876D+01 -0.101273D+00 -0.981799D-02  0.983967D+00
               346           347           348           349           350 
      1  -0.101704D+01 -0.837570D+00 -0.115635D+01 -0.477956D+00 -0.225946D+00
      2  -0.837570D+00 -0.338075D+01 -0.352114D+01 -0.225946D+00 -0.230471D+01
      3  -0.115635D+01 -0.352114D+01 -0.453637D+01  0.116535D+00 -0.271965D+01
               351           352           353           354           355 
      1   0.116535D+00 -0.555349D+01  0.325178D+01  0.134539D+00  0.640809D+01
      2  -0.271965D+01  0.325178D+01 -0.343122D+01  0.324930D+00 -0.575942D+01
      3  -0.398602D+01  0.134539D+00  0.324930D+00 -0.204957D+00 -0.586611D+00
               356           357           358           359           360 
      1  -0.575942D+01 -0.586611D+00 -0.243076D+01  0.197149D+01 -0.518555D+00
      2   0.827238D+01  0.101362D-01  0.197149D+01 -0.222730D+01  0.125847D+01
      3   0.101362D-01  0.100193D+01 -0.518555D+00  0.125847D+01 -0.596258D+00
               361           362           363           364           365 
      1   0.247891D+01  0.653356D+00  0.735007D+00  0.194494D+01 -0.597097D+00
      2   0.653356D+00  0.625374D+00  0.833436D+00 -0.597097D+00  0.244456D+01
      3   0.735007D+00  0.833436D+00  0.106896D+01 -0.802031D-01  0.141856D+01
               366           367           368           369           370 
      1  -0.802031D-01  0.226317D+01  0.638877D+00 -0.136992D+00 -0.801006D+01
      2   0.141856D+01  0.638877D+00  0.176504D+01  0.244726D+01  0.260199D+01
      3   0.131079D+01 -0.136992D+00  0.244726D+01  0.384407D+01  0.407241D+01
               371           372           373           374           375 
      1   0.260199D+01  0.407241D+01  0.397119D+01 -0.235418D+01 -0.238071D+01
      2  -0.143484D+01 -0.181134D+01 -0.235418D+01  0.202364D+01  0.184210D+01
      3  -0.181134D+01 -0.296086D+01 -0.238071D+01  0.184210D+01  0.174603D+01
               376           377           378           379           380 
      1   0.397456D+01 -0.163492D+01 -0.373639D+01  0.242017D+01 -0.103098D+01
      2  -0.163492D+01  0.116990D+01  0.149062D+01 -0.103098D+01  0.816781D+00
      3  -0.373639D+01  0.149062D+01  0.365454D+01  0.894904D+00 -0.498019D+00
               381           382           383           384           385 
      1   0.894904D+00 -0.197087D+01  0.645397D+00 -0.576122D+00  0.159388D+01
      2  -0.498019D+00  0.645397D+00 -0.187262D+01  0.127193D+01 -0.479516D+00
      3   0.455943D+00 -0.576122D+00  0.127193D+01 -0.185005D+01 -0.329887D+00
               386           387           388           389           390 
      1  -0.479516D+00 -0.329887D+00 -0.111545D+02 -0.381214D+01  0.127078D+01
      2   0.129002D+01 -0.121607D+01 -0.381214D+01 -0.202351D+01  0.595555D+00
      3  -0.121607D+01  0.322168D+01  0.127078D+01  0.595555D+00 -0.802147D+00
               391           392           393           394           395 
      1  -0.644204D+01 -0.360028D+01  0.114720D+01  0.318085D+01  0.153532D+01
      2  -0.360028D+01 -0.261980D+01  0.333056D+00  0.153532D+01  0.605182D+00
      3   0.114720D+01  0.333056D+00 -0.462535D+00 -0.179186D+01 -0.479825D+00
               396           397           398           399           400 
      1  -0.179186D+01 -0.469712D+01  0.135243D+01 -0.188571D+01  0.336559D+01
      2  -0.479825D+00  0.135243D+01 -0.107140D+01  0.820447D+00 -0.252984D+01
      3   0.785306D+00 -0.188571D+01  0.820447D+00 -0.111647D+01  0.199608D+01
               401           402           403           404           405 
      1  -0.252984D+01  0.199608D+01 -0.385541D+01  0.171496D+01 -0.238889D+01
      2   0.248210D+01 -0.145503D+01  0.171496D+01 -0.135913D+01  0.144588D+01
      3  -0.145503D+01  0.191784D+01 -0.238889D+01  0.144588D+01 -0.287849D+01
               406           407           408           409           410 
      1   0.254871D+00 -0.109852D+01  0.112778D+01 -0.408050D+01 -0.230928D+01
      2  -0.109852D+01 -0.106647D+00 -0.164701D-01 -0.230928D+01 -0.522030D+01
      3   0.112778D+01 -0.164701D-01  0.158466D+00 -0.469576D+00  0.666036D+00
               411           412           413           414           415 
      1  -0.469576D+00  0.366601D+01  0.164399D+00 -0.318274D+00 -0.349063D+01
      2   0.666036D+00  0.164399D+00  0.161461D+01 -0.121982D+01 -0.144309D+01
      3  -0.990449D+00 -0.318274D+00 -0.121982D+01  0.515885D+00 -0.233075D+01
               416           417           418           419           420 
      1  -0.144309D+01 -0.233075D+01 -0.243821D+01 -0.217907D+01 -0.160662D+01
      2  -0.110754D+01 -0.145894D+01 -0.217907D+01 -0.259153D+01 -0.190505D+01
      3  -0.145894D+01 -0.194068D+01 -0.160662D+01 -0.190505D+01 -0.188754D+01
               421           422           423 
      1  -0.503329D+01 -0.253061D+01 -0.394650D+01
      2  -0.253061D+01 -0.239834D+01 -0.329857D+01
      3  -0.394650D+01 -0.329857D+01 -0.583472D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.781708D+01  0.219754D+00 -0.365084D+01  0.339038D+01  0.732858D+01
      2   0.336805D+01  0.307164D+01  0.108214D+02  0.102241D+02  0.567874D+01
      3  -0.174927D+02  0.362785D+01  0.303355D+01  0.149561D+02  0.216076D+02
                 6             7             8             9            10 
      1  -0.552234D+01  0.396855D+01  0.777042D+01 -0.136380D+02 -0.329259D+01
      2   0.418528D+01 -0.159588D+02 -0.596938D+01  0.276799D+02 -0.266577D+02
      3  -0.233073D+01  0.490097D+01  0.233824D+01  0.297109D-01  0.201829D+02
                11            12            13            14            15 
      1   0.162894D+02 -0.160478D+01  0.355479D+02 -0.621170D+01 -0.573472D+01
      2  -0.153658D+02  0.194789D+01 -0.455812D+02 -0.788204D+01  0.196354D+02
      3  -0.128090D+02  0.659929D+01  0.126396D+01  0.126673D+02 -0.135740D+02
                16            17            18            19            20 
      1   0.175232D+01 -0.111315D+02  0.117752D+02 -0.109787D+02  0.134655D+02
      2   0.113334D+02  0.286796D+01 -0.207261D+02 -0.291743D+02  0.166395D+01
      3  -0.930807D+01  0.874171D+01  0.294385D+01  0.181670D+02 -0.127586D+02
                21            22            23            24            25 
      1  -0.118456D+02 -0.820826D+01 -0.127473D+01 -0.232311D+01  0.138643D+02
      2  -0.653570D+01  0.391081D+02 -0.101860D+02 -0.199743D+02 -0.417141D+02
      3   0.101258D+02 -0.238191D+01  0.121457D+01  0.165248D+02  0.167901D+01
                26            27            28            29            30 
      1  -0.624826D+01  0.671005D+00 -0.515777D+00  0.215406D+01 -0.262806D+01
      2  -0.857549D+01  0.892120D+01  0.289042D+00  0.703107D+00 -0.609875D+01
      3   0.161093D+02 -0.985106D+01  0.289399D+01 -0.529040D+01 -0.148395D+00
                31            32            33            34            35 
      1   0.801066D+00  0.105405D+02 -0.627105D+01 -0.947357D+01  0.116610D+01
      2  -0.554559D+01  0.491048D+01 -0.539789D+01 -0.180295D+02 -0.328603D+01
      3   0.143943D+02 -0.290468D+02 -0.486478D+00  0.107468D+01 -0.653826D+01
                36            37            38            39            40 
      1   0.330843D+00 -0.436281D+01  0.646346D+00  0.258907D+01  0.482501D+00
      2   0.567481D+00 -0.225581D+01  0.324032D+01  0.189130D+02  0.283103D+01
      3   0.873730D+01 -0.223212D+02 -0.223485D+01  0.346722D+00  0.100959D+01
                41            42            43            44            45 
      1   0.267856D+01 -0.151195D+01  0.334006D+01  0.319644D+01 -0.220788D+01
      2   0.538906D+01  0.107177D+02  0.197390D+02  0.116965D+02  0.497508D+01
      3   0.150508D+02 -0.579480D+01 -0.205602D+01 -0.483758D+01 -0.130939D+02
                46            47            48            49            50 
      1   0.555120D+01 -0.282855D+00  0.373586D+01 -0.271607D+01 -0.368307D+01
      2   0.572240D+01 -0.114642D+01 -0.193606D+02 -0.749743D+00 -0.410813D+01
      3   0.270536D+02 -0.401120D+01 -0.250948D+01 -0.215425D+01 -0.163276D+02
                51            52            53            54            55 
      1   0.277281D+01  0.792148D+01  0.742717D+01  0.972631D+00  0.310715D+01
      2  -0.128641D+02 -0.414026D+02 -0.175244D+02  0.850270D+00 -0.165344D+02
      3   0.515356D+01  0.127212D+00  0.328342D+01  0.865119D+01  0.246167D+02
                56            57            58            59            60 
      1  -0.115732D+02  0.641995D+01 -0.114657D+02 -0.456783D+01 -0.408614D+01
      2  -0.359193D+01  0.172361D+02  0.224234D+02  0.482504D+01 -0.720998D+01
      3   0.741080D+01 -0.676664D+01  0.103943D+01  0.346832D+01  0.635393D+01
                61            62            63            64            65 
      1  -0.187740D+02  0.107516D+02 -0.104840D+02 -0.600937D+01 -0.878448D+01
      2   0.126934D+02  0.621711D+01  0.731927D+01  0.249493D+02  0.845993D+01
      3   0.456250D+01 -0.789789D+01  0.131984D+02 -0.208775D+02 -0.364035D+00
                66            67            68            69            70 
      1   0.789673D-01  0.290310D+01 -0.149345D+02  0.892109D+01 -0.781309D+01
      2   0.612551D+01 -0.943243D+01  0.717668D+01  0.492283D+01  0.419951D+01
      3  -0.153182D+01  0.749054D+01  0.983926D+01 -0.172557D+02 -0.198318D+01
                71            72            73            74            75 
      1   0.101997D+02 -0.130473D+02  0.314993D+02 -0.162121D+02  0.102321D+02
      2   0.926729D+01  0.158793D+02  0.861247D+01 -0.209428D+01  0.440704D+01
      3  -0.725713D+01  0.394628D+00 -0.361399D+02  0.433016D+01 -0.926550D+01
                76            77            78            79            80 
      1   0.995693D+01  0.466224D+02  0.430510D+01  0.123529D+02  0.579234D+01
      2  -0.854814D+01  0.672695D+01  0.681360D+01 -0.302926D+00  0.678727D+01
      3  -0.399964D+01 -0.382040D+02 -0.725158D+01 -0.120603D+02  0.483301D+01
                81            82            83            84            85 
      1   0.238115D+02  0.425962D+01  0.588636D+00 -0.121682D+02 -0.106093D+02
      2  -0.932719D+01 -0.278660D+01  0.383874D+01  0.568881D+01  0.159701D+01
      3  -0.194156D+02  0.701333D+01 -0.182027D+02 -0.792826D+01  0.137703D+01
                86            87            88            89            90 
      1  -0.160325D+02 -0.650745D+01 -0.149853D+02  0.884807D+01 -0.982977D+01
      2  -0.818886D+00  0.147071D+01  0.167047D+01  0.233766D+01 -0.343435D+01
      3  -0.150191D+01  0.550669D+01 -0.767470D+01 -0.631970D+00  0.141809D+02
                91            92            93            94            95 
      1  -0.356190D+01  0.145651D+01  0.122552D+02 -0.975226D+01  0.151348D+02
      2  -0.184492D+01 -0.426864D+01  0.541768D+01  0.102878D+00 -0.168032D+01
      3  -0.721324D+01 -0.184894D+02  0.820158D+01  0.125157D+01  0.246184D+01
                96            97            98            99           100 
      1  -0.668420D+01  0.155534D+02  0.899849D+01  0.102966D+02 -0.315030D+02
      2  -0.127895D+01  0.793566D+00 -0.289979D+01 -0.341115D+01  0.184708D+02
      3   0.470856D+01  0.648503D+01 -0.116821D+01 -0.139245D+02  0.391485D+02
               101           102           103           104           105 
      1  -0.135867D+02 -0.949366D+01  0.750439D+01 -0.455093D+02  0.569458D+01
      2   0.409435D+01  0.443385D+01  0.521565D+01  0.885411D+01 -0.604142D+01
      3   0.265721D+01  0.738712D+01 -0.392846D+01  0.379654D+02 -0.724218D+01
               106           107           108           109           110 
      1  -0.127938D+02  0.263086D+01 -0.261339D+02  0.816608D+01  0.151346D+02
      2  -0.369930D-01 -0.727928D+01 -0.618433D+01 -0.289908D+02  0.130467D+02
      3   0.140059D+02  0.608818D+01  0.214754D+02 -0.201188D+02 -0.145027D+02
               111           112           113           114           115 
      1  -0.920109D+00  0.368914D+02  0.310944D+01 -0.491548D+01 -0.486810D+01
      2  -0.317758D+01  0.360863D+02 -0.134478D+02 -0.182301D+02  0.946039D+01
      3  -0.660570D+01 -0.327410D+01 -0.141804D+02 -0.885034D+01  0.450845D+01
               116           117           118           119           120 
      1  -0.107800D+02 -0.125711D+02  0.146013D+02  0.140233D+02  0.101450D+02
      2  -0.182037D+01 -0.199552D+02 -0.331427D+02 -0.615968D+01 -0.653168D+01
      3   0.872372D+01 -0.271691D+01 -0.169377D+02 -0.143085D+02 -0.801346D+01
               121           122           123           124           125 
      1  -0.104283D+02  0.223300D+01 -0.257148D+01 -0.162354D+02 -0.634137D+01
      2  -0.351381D+02 -0.640404D+01  0.240485D+02 -0.380510D+02  0.952819D+01
      3   0.274512D+01  0.196072D+01  0.149856D+02  0.306795D+01  0.156621D+02
               126           127           128           129           130 
      1   0.129555D+01 -0.861893D+01 -0.133236D+02 -0.570045D+01 -0.130980D+02
      2   0.125876D+02 -0.191393D+02  0.558764D+01  0.215492D+02 -0.192614D+02
      3   0.877060D+01 -0.182461D+02  0.912195D+01  0.702971D+01  0.327221D+01
               131           132           133           134           135 
      1   0.384806D+01 -0.476166D+01  0.222351D+02  0.998041D+01  0.113196D+02
      2   0.498301D+01  0.745795D+01  0.890091D+01 -0.732326D+01  0.703024D+01
      3  -0.266272D+01  0.505320D+01 -0.798027D+01 -0.734882D+01 -0.122764D+02
               136           137           138           139           140 
      1   0.547021D+01 -0.800563D+01  0.655652D+00  0.710574D+01  0.173860D+02
      2   0.247266D+02 -0.770113D+01  0.588216D+01  0.106079D+02  0.567356D+01
      3   0.188780D+02 -0.627739D+00  0.104966D+01  0.402820D+01 -0.125066D+02
               141           142           143           144           145 
      1   0.989298D+01  0.915317D+01  0.123273D+02  0.142939D+02  0.465834D+01
      2  -0.984788D+01  0.409373D+01 -0.968953D+01  0.161678D+02  0.604095D+01
      3  -0.169040D+02  0.125128D+01 -0.740542D+01 -0.154719D+01  0.253133D+01
               146           147           148           149           150 
      1   0.530995D+01  0.243655D+01  0.533705D+01  0.626376D+00  0.537255D-01
      2   0.461042D+01  0.924144D+01 -0.995276D+01  0.465379D+01  0.922120D+01
      3   0.339119D+01 -0.113241D+02  0.145392D+02 -0.625108D+01 -0.272911D+01
               151           152           153           154           155 
      1  -0.421214D+01  0.109608D+02  0.683468D+01 -0.453139D+01 -0.282914D+01
      2  -0.697411D+01  0.185153D+02  0.173485D+02  0.103142D+02 -0.140878D+02
      3  -0.124588D+02 -0.642395D+01 -0.119100D+02 -0.163263D+02 -0.681457D+01
               156           157           158           159           160 
      1   0.513492D+01 -0.596561D+01  0.151311D+01 -0.512082D+01  0.787351D+01
      2  -0.284066D+01 -0.199091D+02  0.834129D+01 -0.115277D+02 -0.803597D+01
      3   0.183403D+02 -0.600356D+01  0.479358D+01 -0.366176D+01  0.233400D+02
               161           162           163           164           165 
      1  -0.269372D+00  0.234873D+01  0.933434D+00 -0.135137D+01 -0.168933D+01
      2  -0.128624D+02  0.483004D+01 -0.339971D+01  0.191765D+02  0.520872D+01
      3  -0.372502D+01  0.784473D+01  0.189892D+02  0.621602D+01 -0.182586D+02
               166           167           168           169           170 
      1  -0.189624D+01 -0.129410D+01 -0.312657D+01 -0.378788D+01 -0.284318D+00
      2   0.310202D+02 -0.348577D+01  0.100266D+02 -0.439250D+01  0.107561D+02
      3   0.194138D+02 -0.350011D+01  0.612839D+01 -0.298094D+02  0.376195D+01
               171           172           173           174           175 
      1  -0.996745D+00 -0.197561D+01  0.311598D+01  0.905617D+00  0.210454D+01
      2  -0.265396D+01  0.685783D+01 -0.905518D+01 -0.593688D+01 -0.600447D+01
      3  -0.112751D+02 -0.518651D+00  0.682406D+00  0.992629D+01  0.130413D+02
               176           177           178           179           180 
      1  -0.106459D+02  0.526936D+00  0.585273D+01  0.128855D+02  0.320595D+01
      2   0.134196D+02 -0.752034D+01 -0.214273D+02 -0.146232D+02 -0.495352D+01
      3   0.153975D+02 -0.110542D+02  0.120621D+02 -0.100373D+02  0.118768D+02
               181           182           183           184           185 
      1   0.249621D+01  0.152787D+02  0.242201D+00 -0.261044D+02 -0.152792D+01
      2   0.585304D+02  0.682651D+00  0.255161D+02  0.331797D+01 -0.641183D+01
      3  -0.224680D+01 -0.196324D+02 -0.178328D+01  0.853730D+02 -0.109206D+01
               186           187           188           189           190 
      1  -0.554051D+02 -0.252229D+01  0.230073D+02 -0.104981D+01  0.215665D+01
      2  -0.745212D+00 -0.428971D+02  0.848727D+00 -0.293965D+02  0.180257D+01
      3   0.840138D+01 -0.409995D+01 -0.216318D+02  0.193592D+01 -0.117092D+02
               191           192           193           194           195 
      1  -0.570062D+01 -0.456142D+00 -0.775199D+01  0.780273D+01 -0.781649D+01
      2  -0.595228D-01  0.573695D+01  0.813571D+00  0.157344D+01 -0.181406D+01
      3  -0.905176D+01 -0.104932D+01  0.572495D+01  0.577715D+01  0.747349D+01
               196           197           198           199           200 
      1   0.144199D+01  0.110146D+02 -0.394671D+01 -0.421636D+01 -0.662012D+01
      2  -0.769103D+01  0.672586D+00  0.263940D+01  0.322807D+01 -0.274374D+00
      3  -0.440956D+01  0.488404D+01 -0.145888D+01  0.968874D+01 -0.104298D+02
               201           202           203           204           205 
      1   0.885872D-01 -0.895386D+01 -0.629511D+01 -0.555767D+01 -0.508844D+00
      2   0.765680D+01 -0.235773D+01  0.241739D+01  0.279667D+01 -0.620114D+01
      3   0.298374D+01  0.175019D+01 -0.549982D+01  0.848109D+01  0.765606D+01
               206           207           208           209           210 
      1   0.120791D+02  0.272035D+01  0.191458D+01 -0.206126D+01  0.797437D-01
      2  -0.104798D+01  0.232350D+01  0.957531D+01 -0.497112D+01 -0.919596D+01
      3   0.638610D+01  0.375285D+00 -0.951819D+00  0.132300D+00  0.334295D+01
               211           212           213           214           215 
      1  -0.107370D+01  0.140900D+01  0.883697D+00  0.181820D+01  0.237698D+01
      2  -0.673403D+01  0.227026D+01  0.157060D+01 -0.125071D+02  0.733633D+00
      3   0.315059D+01 -0.583957D+00 -0.828272D+00  0.394566D+01  0.904667D+00
               216           217           218           219           220 
      1  -0.240468D+01 -0.977320D+00  0.202570D+01 -0.518905D+00  0.269119D+01
      2   0.958567D+01 -0.375183D+00  0.790154D+00 -0.122082D+01  0.185198D+01
      3  -0.253993D+01  0.124046D+01 -0.202568D+01 -0.401855D+00  0.899598D+00
               221           222           223           224           225 
      1  -0.859219D+01  0.610497D+01 -0.445489D+00  0.765404D+01 -0.507068D+01
      2   0.380387D+01 -0.466319D+01 -0.234122D+01 -0.512027D+01  0.760917D+01
      3   0.532984D+01 -0.630231D+01 -0.512396D+00 -0.509703D+01  0.530247D+01
               226           227           228           229           230 
      1   0.362742D+01 -0.816489D-01  0.240223D+01 -0.848840D+00  0.110361D+01
      2  -0.715487D+01  0.246066D+00 -0.631060D+01 -0.245051D+01 -0.441998D+01
      3  -0.960323D+00  0.245882D+00 -0.279331D+01 -0.241417D+01 -0.289131D+01
               231           232           233           234           235 
      1   0.194714D+01 -0.326047D+01  0.375782D+00  0.141349D+02 -0.223071D+01
      2  -0.249150D+01 -0.238150D+01  0.578829D+01 -0.273863D+02  0.323603D+01
      3   0.309081D+01 -0.505415D+01  0.879759D+00 -0.287683D+01 -0.456501D+01
               236           237           238           239           240 
      1  -0.106257D+01  0.429269D+00  0.411526D+00 -0.744648D+01 -0.307224D+01
      2   0.463475D+00 -0.678629D+00 -0.456581D+00 -0.615540D+01  0.321307D+01
      3  -0.831280D+00  0.119573D+01  0.527421D+01 -0.295964D+02  0.199793D+01
               241           242           243           244           245 
      1   0.124461D+00 -0.139456D+01  0.320738D+00  0.172947D+01 -0.963661D+00
      2  -0.246821D+00  0.352547D+01 -0.271283D+01 -0.116822D+02 -0.398804D+01
      3   0.132886D+01 -0.156619D+01 -0.322640D+01 -0.429194D+01 -0.573906D+01
               246           247           248           249           250 
      1  -0.297301D+01  0.737443D+00  0.203727D+00 -0.147171D+01 -0.549778D+01
      2   0.124448D+02 -0.408501D+01 -0.560886D+01  0.686794D+01  0.191123D+02
      3   0.173738D+01 -0.447866D+01 -0.391545D+01  0.506888D+01  0.465887D+00
               251           252           253           254           255 
      1   0.115349D+01  0.477282D+01 -0.359923D+01 -0.100496D+01 -0.269917D+01
      2   0.105968D+02 -0.225652D+02  0.102638D+02  0.426347D+01  0.102383D+02
      3   0.810525D+01 -0.511255D+01 -0.613363D+01 -0.610351D+01 -0.608601D+00
               256           257           258           259           260 
      1  -0.199628D+01 -0.176190D+01 -0.347261D+01 -0.422197D+01 -0.164782D+01
      2   0.545412D+01  0.654572D+01  0.673594D+01  0.161049D+02  0.944445D+01
      3  -0.333576D+01 -0.583798D+01 -0.483037D+01 -0.898155D+00 -0.100586D+02
               261           262           263           264           265 
      1  -0.548946D+01  0.155811D+01  0.135192D+01 -0.100797D+01  0.646884D+00
      2   0.183425D+02 -0.112273D+02 -0.414697D+01 -0.798877D+01 -0.318462D+01
      3  -0.495767D+01  0.128384D+02  0.576906D+01  0.263700D+01  0.739942D+01
               266           267           268           269           270 
      1  -0.226679D+00 -0.114684D+01  0.483964D-01  0.229964D+01 -0.275902D+01
      2  -0.614117D+01 -0.589733D+01 -0.103876D+02 -0.863579D+01 -0.202287D+02
      3   0.554783D+01  0.532865D+01  0.557877D+01  0.911517D+01  0.919418D+01
               271           272           273           274           275 
      1   0.850900D+00 -0.224701D+01  0.158289D+01 -0.963876D+00  0.766397D+00
      2  -0.106959D+01 -0.486758D+00  0.579186D+01  0.363413D-01 -0.512075D+00
      3   0.104268D+02 -0.129908D+02 -0.499645D+00 -0.912846D+01  0.727564D+01
               276           277           278           279           280 
      1  -0.143555D+01  0.469050D+00  0.402841D+00 -0.198535D-01  0.271387D+01
      2  -0.389698D+01  0.355764D+01 -0.380739D+01 -0.132472D+01  0.155468D+01
      3   0.124618D+01 -0.713838D+00  0.422970D+00  0.346789D+01 -0.448554D+01
               281           282           283           284           285 
      1   0.309557D+00  0.424861D+01  0.134560D+01 -0.881562D-01  0.607159D+00
      2  -0.771342D+00  0.100191D+02 -0.128053D+01  0.987974D+00  0.200970D+01
      3  -0.381196D+01 -0.154748D+01 -0.581814D+01  0.321215D+01 -0.329589D+01
               286           287           288           289           290 
      1   0.405955D+01  0.244075D+01  0.519282D+01 -0.285227D+01 -0.221103D+01
      2   0.757242D+01 -0.117350D+01  0.146843D+02  0.140301D+01 -0.904724D-01
      3  -0.597182D+00 -0.373640D+01 -0.112069D+01  0.746860D+01  0.540345D+01
               291           292           293           294           295 
      1  -0.367773D+00  0.177699D+01 -0.875619D+01 -0.385010D+01 -0.861521D+00
      2  -0.369970D+00  0.328749D+01 -0.172793D+01 -0.393792D+01 -0.932717D+00
      3   0.151275D+01 -0.475815D+00  0.345384D+02 -0.294801D+01  0.327258D+01
               296           297           298           299           300 
      1  -0.649643D-01 -0.245465D+01 -0.745320D+00  0.508971D+01 -0.322102D+01
      2  -0.294162D+01 -0.129683D+01 -0.281978D+01 -0.150670D+01  0.704737D+00
      3   0.175943D+01  0.408541D+01  0.117334D+02  0.663682D+01  0.407354D+01
               301           302           303           304           305 
      1  -0.207504D+01  0.727148D+01 -0.699572D+01 -0.204571D+01 -0.512635D+01
      2  -0.206325D+01 -0.208327D+00  0.534985D+00 -0.161799D+01  0.411289D+00
      3   0.123091D+02  0.558079D+01  0.395027D+01  0.261163D+01  0.171821D+01
               306           307           308           309           310 
      1  -0.519875D+00 -0.497681D+01  0.175572D+01  0.776415D+01  0.142000D+01
      2   0.110055D+01  0.801724D+01 -0.124590D+01 -0.204892D+01  0.771666D+00
      3   0.906650D+00 -0.172179D+02  0.381503D+01  0.695389D+01  0.274704D+01
               311           312           313           314           315 
      1  -0.414339D+01 -0.220265D+01  0.572393D+01 -0.172327D+00 -0.802616D+01
      2   0.146635D+01  0.542826D+00 -0.581765D+01  0.193675D+01  0.293764D+01
      3  -0.262961D+01 -0.256954D+01  0.871508D+01 -0.489241D+01 -0.785870D+01
               316           317           318           319           320 
      1   0.460312D+01  0.155502D+01 -0.798831D+01  0.134028D+01  0.405329D+01
      2   0.671944D+01  0.125359D+01 -0.153369D+01 -0.621624D+00  0.879652D+00
      3   0.160588D+02  0.407020D+01 -0.686220D+01  0.296975D+01  0.187163D+01
               321           322           323           324           325 
      1  -0.203740D+01 -0.528207D+01 -0.327253D+00  0.803898D+01  0.120164D+01
      2  -0.438216D+00 -0.502906D+01 -0.195671D+01  0.259826D+01 -0.293079D+01
      3  -0.224298D+01 -0.783639D+01 -0.478098D+01  0.752251D+01 -0.114123D+02
               326           327           328           329           330 
      1   0.483718D+01  0.275569D+01 -0.236236D+01 -0.675322D+01 -0.702802D+01
      2   0.107683D+01  0.676988D+00  0.252108D+01  0.913134D-02 -0.361038D+00
      3   0.663811D+01 -0.397533D+01  0.121420D+02 -0.611867D+01  0.434175D+01
               331           332           333           334           335 
      1   0.178894D+01 -0.501774D+01  0.842383D+00 -0.215824D+01 -0.195419D+01
      2  -0.195514D+01 -0.145503D+00  0.967706D+00  0.118783D+02  0.520281D+01
      3  -0.309023D+01  0.163641D+01 -0.106283D+01  0.132737D+01 -0.198879D+00
               336           337           338           339           340 
      1  -0.546670D+00 -0.104849D+01 -0.109373D+01  0.114273D+01 -0.188645D+01
      2  -0.820785D+01  0.683803D+01  0.206863D+01 -0.913886D+00 -0.123912D+02
      3  -0.319004D+01  0.265617D+01  0.373054D+00 -0.600649D+00 -0.343251D+01
               341           342           343           344           345 
      1   0.220693D+01  0.228955D+01  0.148179D+01  0.156999D+01  0.462360D+00
      2  -0.337355D+00  0.855499D+01 -0.176331D+00 -0.105558D+01 -0.133184D+01
      3   0.105239D+01  0.207196D+01 -0.135017D+01 -0.169055D+01  0.103816D+00
               346           347           348           349           350 
      1   0.208447D+01  0.900669D+01  0.625371D+01  0.822629D+00  0.762989D+01
      2  -0.227749D+01  0.371249D+01  0.455785D+01 -0.249661D+01  0.489394D+01
      3   0.129260D+01 -0.531162D+01 -0.587409D+01  0.255324D+00 -0.504200D+01
               351           352           353           354           355 
      1   0.536339D+01  0.147094D+01 -0.291238D+01  0.267752D+01 -0.220599D+01
      2   0.708091D+01  0.245877D+01 -0.209286D+01  0.285048D+01  0.226839D+01
      3  -0.548490D+01 -0.168459D+01 -0.579686D+01  0.218143D+01 -0.291518D+01
               356           357           358           359           360 
      1   0.455730D+01 -0.499837D+01  0.183032D+01 -0.321047D+01  0.170773D+01
      2  -0.663569D+00 -0.571297D+01  0.245492D+00 -0.536182D+01  0.107893D+01
      3   0.177523D+02 -0.154042D+01 -0.205277D+00 -0.428867D+01  0.447180D+01
               361           362           363           364           365 
      1  -0.390175D+00 -0.130367D+01 -0.285046D+01  0.144713D+01 -0.151685D+01
      2  -0.922584D+01 -0.595186D+01 -0.708399D+01  0.255942D+00 -0.848858D+01
      3   0.118706D+02  0.474975D+01  0.559661D+01  0.448467D+01  0.765815D+01
               366           367           368           369           370 
      1  -0.307107D+01  0.156372D+01 -0.171575D+01 -0.858816D+01  0.512461D+00
      2  -0.653737D+01 -0.779143D+01 -0.127416D+02 -0.179404D+02 -0.724091D+01
      3   0.555540D+01  0.823994D+01  0.889131D+01  0.110085D+02  0.514234D+01
               371           372           373           374           375 
      1  -0.224429D+01  0.164687D+00 -0.620206D+00  0.247280D+01  0.621786D-01
      2   0.528825D+01  0.112271D+02  0.543475D+01 -0.591694D+01 -0.599975D+01
      3  -0.716995D+01 -0.560927D+01 -0.481658D+01  0.923198D+01  0.635565D+01
               376           377           378           379           380 
      1   0.181548D-01  0.249362D+01 -0.969652D+00 -0.319321D+01  0.337175D+01
      2   0.911326D+01 -0.448285D+01 -0.134185D+02 -0.118126D+02  0.611239D+01
      3  -0.500934D+01  0.535379D+01  0.406196D+01 -0.455851D+01  0.558460D+01
               381           382           383           384           385 
      1  -0.205960D+01  0.399183D+01 -0.630016D+01  0.227163D+01 -0.276386D+01
      2  -0.462315D+01  0.105400D+02 -0.966531D+01  0.113378D+02 -0.599440D+01
      3  -0.339512D+01  0.952087D+01 -0.126865D+02  0.621350D+01 -0.434897D+01
               386           387           388           389           390 
      1   0.500862D+01 -0.369417D+01  0.832947D+00 -0.139383D+00 -0.138034D+01
      2   0.819468D+01 -0.153406D+02 -0.873814D+01 -0.427085D+01  0.768020D+01
      3   0.631851D+01 -0.632686D+01 -0.166470D+02 -0.128833D+02  0.292662D+01
               391           392           393           394           395 
      1   0.135230D+01 -0.253861D+00 -0.168852D+01 -0.500622D+00  0.859650D+00
      2  -0.880634D+01 -0.259082D+01  0.445249D+01  0.866913D+01  0.266091D+01
      3  -0.147085D+02 -0.145551D+02  0.109271D+01  0.720952D+01  0.401291D+01
               396           397           398           399           400 
      1   0.112949D+01 -0.126904D+01  0.830853D+00  0.307340D-01  0.901816D+00
      2  -0.582020D+01  0.821562D+01 -0.405556D+01  0.656162D+01 -0.874187D+01
      3  -0.197845D+01  0.618958D+01 -0.747301D+01  0.521512D+01 -0.111212D+02
               401           402           403           404           405 
      1  -0.121239D+01 -0.875450D+00 -0.250720D+00  0.237606D+01  0.813448D-01
      2   0.629390D+01 -0.116664D+02  0.797428D+01 -0.704777D+01  0.153299D+02
      3   0.156385D+02 -0.795880D+01  0.970587D+01 -0.922299D+01  0.797516D+01
               406           407           408           409           410 
      1   0.651947D+01 -0.297799D+01  0.879190D+00 -0.399985D+00  0.896119D+01
      2  -0.453933D+01  0.171634D+01 -0.148490D+01 -0.145389D+01 -0.101789D+02
      3  -0.716643D+01  0.291347D+01 -0.526128D+01  0.448555D+00 -0.226945D+02
               411           412           413           414           415 
      1  -0.632041D+01  0.101977D+01 -0.512019D+01  0.602565D+01 -0.214036D+01
      2   0.575666D+01  0.136697D+01  0.939171D+01 -0.899783D+01  0.476736D+01
      3   0.666622D+01 -0.926744D+01  0.105547D+02 -0.107711D+02 -0.163419D+01
               416           417           418           419           420 
      1  -0.946313D+00 -0.262621D+01  0.289186D+00  0.128621D+01 -0.153594D+01
      2   0.405583D+01  0.626149D+01  0.202849D+01  0.404148D+01  0.609200D+01
      3  -0.464523D+01 -0.338564D+01 -0.425345D+01 -0.884613D+01 -0.548286D+01
               421           422           423 
      1  -0.185789D+01  0.290057D-01 -0.566110D+01
      2   0.564759D+01  0.980671D+01  0.200147D+02
      3  -0.324422D+01 -0.794869D+01 -0.969690D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393378D+02  0.877381D+01  0.104409D+02  0.180006D+02  0.174422D+02
      2   0.218352D+02 -0.623218D+01 -0.862341D+00 -0.165208D+02 -0.384537D+02
      3   0.175026D+02 -0.254163D+01 -0.957853D+01 -0.147976D+01  0.210115D+02
      4   0.682701D+00 -0.407519D+01  0.110513D+01 -0.723940D+01 -0.454833D+02
      5   0.738491D+01 -0.175569D+01  0.817877D+01  0.655224D+00  0.313654D+01
      6  -0.191682D+01  0.296855D+00  0.416419D+01  0.356025D+01  0.854286D+01
                 6             7             8             9            10 
      1   0.185684D+01  0.117047D+02  0.324708D+01  0.155473D+02  0.270740D+02
      2   0.562468D+01 -0.623969D+01 -0.156168D+01  0.538101D+01 -0.243801D+02
      3  -0.748153D+01 -0.546506D+01 -0.168540D+01 -0.209283D+02 -0.269398D+01
      4   0.601299D+01  0.993828D+01  0.357390D+01  0.406637D+01  0.312653D+02
      5   0.467050D+01  0.355271D+01 -0.249989D+00  0.187693D+02 -0.212418D+01
      6   0.212985D+01 -0.715240D+00  0.668881D-01  0.104274D+02 -0.496240D+01
                11            12            13            14            15 
      1   0.109062D+02 -0.436334D+01  0.521266D+02  0.824737D+01 -0.111327D+02
      2   0.124649D+02  0.241758D+01 -0.149709D+02 -0.145607D+02  0.419194D+01
      3  -0.233711D+02  0.194577D+01 -0.371557D+02  0.631337D+01  0.694077D+01
      4   0.133784D+02 -0.827995D+01  0.189407D+02  0.153923D+02 -0.151144D+01
      5  -0.560891D+01  0.107132D+02 -0.223820D+01 -0.324148D+01  0.362612D+01
      6   0.617864D+01 -0.131341D+01 -0.114962D+01 -0.229101D+01  0.654043D+01
                16            17            18            19            20 
      1  -0.244448D+02  0.515518D+01  0.783132D+01  0.654252D+02 -0.174431D+02
      2   0.504634D+01 -0.109345D+02 -0.379409D+01 -0.367577D+02  0.180445D+02
      3   0.193985D+02  0.577936D+01 -0.403723D+01 -0.286675D+02 -0.601360D+00
      4  -0.326404D+01 -0.105386D+02  0.101787D+02 -0.287453D+02  0.117323D+02
      5   0.189412D+02  0.772810D+01 -0.983918D+01  0.436346D+02 -0.937234D+01
      6   0.715178D+01  0.243142D+01 -0.425944D+01 -0.103537D+02  0.556718D+01
                21            22            23            24            25 
      1   0.170618D+02 -0.544991D+02  0.403527D+01  0.113246D+02  0.250192D+02
      2  -0.204304D+02  0.179006D+02  0.109440D+02 -0.842805D+01 -0.437075D+01
      3   0.336860D+01  0.365985D+02 -0.149793D+02 -0.289655D+01 -0.206484D+02
      4  -0.866651D+01  0.325976D+01 -0.138356D+02  0.686938D+01  0.161154D+02
      5   0.151842D+02  0.660835D+01  0.860765D+01 -0.104498D+01 -0.102370D+01
      6  -0.630818D+01  0.780568D+01 -0.301293D+01 -0.250982D+01  0.108584D+01
                26            27            28            29            30 
      1   0.956166D+01 -0.493312D+01 -0.449049D+02  0.523453D+01 -0.233027D+02
      2  -0.979524D+01 -0.846977D+00  0.331541D+02 -0.976154D+01  0.176459D+02
      3   0.233579D+00  0.578010D+01  0.117509D+02  0.452701D+01  0.565686D+01
      4   0.115240D+01 -0.362001D+01  0.953499D+01  0.304878D+01  0.120572D+02
      5  -0.697145D+00  0.251168D+01 -0.452175D+02  0.118983D+02 -0.369716D+02
      6   0.906489D+00  0.105924D+02  0.109750D+02 -0.233621D+01  0.846417D+01
                31            32            33            34            35 
      1   0.157682D+01  0.101600D+02  0.378662D+01 -0.351976D+02  0.146332D+02
      2   0.678190D+01 -0.232796D+02 -0.324192D+00  0.286407D+02 -0.109798D+02
      3  -0.835873D+01  0.131196D+02 -0.346243D+01  0.655691D+01 -0.365346D+01
      4  -0.102666D+02  0.384859D+02 -0.482415D+01  0.178929D+02  0.625176D+01
      5   0.800152D+01 -0.718369D+01 -0.689995D+01 -0.606173D+02 -0.659161D+00
      6  -0.484223D+01  0.762397D+01  0.125652D+01  0.129791D+02 -0.935001D+00
                36            37            38            39            40 
      1  -0.390585D+02 -0.784814D+02  0.511137D+02  0.138803D+02  0.542421D+02
      2   0.285913D+02  0.349911D+02 -0.233187D+02 -0.384853D+01 -0.264594D+02
      3   0.104672D+02  0.434902D+02 -0.277950D+02 -0.100318D+02 -0.277828D+02
      4   0.222115D+00  0.573483D+02 -0.128726D+02 -0.525362D+01 -0.192759D+02
      5  -0.232457D+02  0.153868D+02 -0.576340D+01  0.254906D+02 -0.301026D+01
      6   0.363630D+01 -0.841716D+01  0.240395D+01 -0.471661D+01  0.135304D+01
                41            42            43            44            45 
      1  -0.133166D+02  0.118778D+01  0.543705D+01  0.245455D+01  0.345978D+02
      2   0.852991D+01  0.832757D+00  0.905127D+00  0.177662D+01 -0.169339D+02
      3   0.478670D+01 -0.202054D+01 -0.634218D+01 -0.423117D+01 -0.176639D+02
      4  -0.152434D+02  0.720390D+01 -0.128718D+01  0.654098D+01  0.172954D+02
      5   0.757738D+01  0.169142D+02  0.337292D+02  0.181461D+02  0.496104D+01
      6   0.610593D+00 -0.362844D+01 -0.256751D+01 -0.262550D+01 -0.498750D+01
                46            47            48            49            50 
      1   0.183904D+02 -0.330531D+02 -0.503384D+00 -0.492134D+02 -0.108618D+02
      2  -0.786039D+01  0.189506D+02 -0.610989D+01  0.270348D+02  0.104197D+02
      3  -0.105300D+02  0.141025D+02  0.661327D+01  0.221786D+02  0.442062D+00
      4  -0.357147D+02 -0.116270D+02  0.374944D+01 -0.192781D+02  0.168530D+02
      5   0.684372D+01  0.624312D+01 -0.412928D+02  0.528777D+01 -0.344067D+01
      6   0.643943D+01 -0.105692D+00 -0.104798D+02  0.179092D+01 -0.359456D+01
                51            52            53            54            55 
      1   0.734624D+00  0.115989D+02 -0.139059D+00 -0.564703D+02 -0.474038D+01
      2  -0.436250D+01 -0.153592D+02 -0.475313D+01  0.294899D+02 -0.103112D+02
      3   0.362788D+01  0.376029D+01  0.489219D+01  0.269804D+02  0.150516D+02
      4  -0.355199D+01  0.310927D+01 -0.465113D+01 -0.431996D+02  0.157800D+02
      5  -0.262121D+02 -0.736822D+02 -0.370643D+02  0.135958D+02  0.346527D+01
      6  -0.837243D+01 -0.206233D+02 -0.790447D+01  0.429536D+01 -0.404021D+01
                56            57            58            59            60 
      1   0.924873D+01 -0.243663D+02 -0.409532D+01 -0.175168D+01  0.694487D+01
      2  -0.105335D+02 -0.114097D+02 -0.268705D+01  0.963301D+01  0.209815D+01
      3   0.128479D+01  0.357760D+02  0.678237D+01 -0.788132D+01 -0.904302D+01
      4  -0.254138D+01 -0.516781D+00  0.573109D+01  0.393786D+01 -0.249803D+01
      5  -0.315495D-01  0.270369D+02 -0.894393D+00 -0.151841D+01  0.601451D+01
      6   0.289615D+01  0.810124D+01 -0.232122D+00  0.334786D+01 -0.942153D+01
                61            62            63            64            65 
      1   0.335499D+01 -0.168401D+02 -0.385979D+01 -0.619181D+00 -0.600962D+01
      2  -0.236340D+02  0.107166D+02 -0.299520D+02  0.618808D+01 -0.371326D+01
      3   0.202790D+02  0.612347D+01  0.338118D+02 -0.556890D+01  0.972288D+01
      4  -0.130726D+02  0.416309D+01  0.176119D+00 -0.464529D+00  0.104182D+02
      5   0.297285D+02 -0.529662D+00  0.325310D+02  0.567187D+01 -0.317157D+01
      6  -0.529210D+01 -0.562208D+01  0.105318D+01 -0.131929D+01 -0.558540D+00
                66            67            68            69            70 
      1   0.637131D+01 -0.705643D+01  0.808783D+01 -0.282469D+02 -0.194662D+01
      2  -0.760565D+01 -0.934094D+00 -0.199594D+02 -0.496455D+01 -0.519251D+01
      3   0.123435D+01  0.799052D+01  0.118716D+02  0.332115D+02  0.713914D+01
      4  -0.365146D+01  0.432572D+01  0.114448D+01  0.121010D+01 -0.461637D+01
      5   0.403439D+01 -0.472271D+00  0.116772D+01  0.203500D+02  0.314844D+01
      6   0.134822D+02  0.305819D+01  0.640602D+01  0.161874D+02  0.433444D+01
                71            72            73            74            75 
      1  -0.239413D+02 -0.221444D+02 -0.318607D+01 -0.365112D+01 -0.413234D+01
      2   0.129327D+02 -0.169919D+02  0.127094D+02 -0.892173D+01  0.158862D+01
      3   0.110087D+02  0.391363D+02 -0.952330D+01  0.125728D+02  0.254372D+01
      4   0.973902D+01  0.890204D+01 -0.948516D+01 -0.877997D+00  0.168905D+02
      5   0.777157D+01  0.232011D+02  0.596710D+01  0.134208D+02 -0.170396D+01
      6   0.164302D+02  0.211141D+02  0.126848D+02  0.644589D+01  0.372639D+01
                76            77            78            79            80 
      1   0.144693D+02 -0.378841D+02 -0.953140D+01  0.159580D+01  0.515676D+01
      2  -0.692028D+01  0.561125D+02 -0.191640D+01 -0.133993D+01  0.688000D+00
      3  -0.754902D+01 -0.182284D+02  0.114478D+02 -0.255870D+00 -0.584476D+01
      4   0.729880D+01  0.248860D+02  0.418444D+01  0.838018D+01  0.726027D+01
      5   0.123171D+01  0.550719D+01  0.495250D+01 -0.282224D+01  0.137504D+01
      6   0.233325D+01  0.225147D+02  0.112709D+02  0.568837D+01  0.945762D+01
                81            82            83            84            85 
      1  -0.961284D+01  0.893900D+01  0.189931D+02  0.245053D+00  0.139034D+02
      2   0.115405D+02 -0.148569D+02 -0.433615D+02 -0.688716D+01 -0.266965D+02
      3  -0.192766D+01  0.591791D+01  0.243683D+02  0.664211D+01  0.127931D+02
      4  -0.276742D+01 -0.116628D+01 -0.235768D+02 -0.137300D+02 -0.155096D+02
      5   0.564087D+01  0.482634D+00 -0.814371D+01 -0.485878D+01 -0.349800D+01
      6  -0.119705D+01 -0.170084D+02 -0.943362D+01  0.159727D+02 -0.331459D+01
                86            87            88            89            90 
      1   0.329920D+02  0.660280D+01 -0.231365D+01 -0.681271D+01  0.472153D+01
      2  -0.651209D+02 -0.128301D+02 -0.157597D+01  0.747355D+01 -0.508796D+01
      3   0.321289D+02  0.622726D+01  0.388962D+01 -0.660847D+00  0.366435D+00
      4  -0.404745D+02 -0.207417D+01 -0.835069D+01 -0.177027D+01  0.107117D+02
      5  -0.226128D+01 -0.147588D+00 -0.445409D+01  0.222484D+01  0.286468D+01
      6  -0.252961D+02 -0.470807D+01  0.182310D+02 -0.117023D+02  0.862559D+00
                91            92            93            94            95 
      1   0.835333D+01 -0.200264D+02  0.151124D+01 -0.142382D+02  0.351212D+02
      2  -0.133732D+02  0.431752D+02 -0.833062D+01  0.250786D+02 -0.648199D+02
      3   0.501987D+01 -0.231488D+02  0.681938D+01 -0.108403D+02  0.296987D+02
      4  -0.722730D+00 -0.212700D+02  0.135115D+02 -0.134469D+02  0.380685D+02
      5   0.121507D+01  0.794394D+01 -0.529618D+01  0.338478D+01 -0.293877D+01
      6   0.167406D+02 -0.101347D+02 -0.152855D+02 -0.451542D+01  0.269178D+02
                96            97            98            99           100 
      1  -0.761389D+01  0.100520D-01  0.592342D+01  0.436036D+01 -0.101802D+02
      2   0.143183D+02 -0.404210D+01 -0.616437D+01 -0.496525D+01  0.140911D+02
      3  -0.670437D+01  0.403205D+01  0.240949D+00  0.604884D+00 -0.391088D+01
      4  -0.338131D+01  0.767879D+01 -0.314598D+01 -0.106439D+02  0.157693D+02
      5   0.484149D+00 -0.481800D+01 -0.221864D+01  0.352045D+01  0.303778D+01
      6  -0.569029D+01 -0.176435D+02 -0.117083D+02 -0.748847D+00 -0.122712D+02
               101           102           103           104           105 
      1   0.543635D+01 -0.306070D+01 -0.992020D+01 -0.396682D+02  0.935963D+01
      2   0.803109D+01  0.265412D+01  0.528143D+01  0.551420D+02  0.875476D+00
      3  -0.134674D+02  0.406581D+00  0.463877D+01 -0.154738D+02 -0.102351D+02
      4  -0.363579D+01 -0.156473D+02  0.454420D+01 -0.198555D+02  0.414049D+01
      5  -0.120870D+02 -0.319185D+00  0.604306D-01  0.480870D+01 -0.333019D+01
      6   0.498862D+01 -0.404487D+01  0.880708D+00 -0.229343D+02  0.100031D+02
               106           107           108           109           110 
      1  -0.143650D+01 -0.345660D+01 -0.997814D+01  0.199290D+02 -0.121819D+02
      2   0.350401D+00 -0.144244D+01  0.862407D+01 -0.148434D+02 -0.146870D+02
      3   0.108610D+01  0.489903D+01  0.135407D+01 -0.508558D+01  0.268689D+02
      4  -0.751972D+01  0.699234D+01  0.240900D+01 -0.367610D+02  0.193803D+02
      5  -0.104800D+01 -0.138469D+01  0.451937D+01  0.469445D+01  0.487717D+01
      6  -0.578534D+01  0.984003D+01 -0.520788D+00  0.775182D+01  0.725942D+01
               111           112           113           114           115 
      1  -0.281730D+01 -0.476263D+02  0.130417D+02  0.753293D+01 -0.340016D+02
      2  -0.402352D+00  0.681589D+01 -0.147266D+02 -0.742106D+00  0.442675D+01
      3   0.321966D+01  0.408104D+02  0.168485D+01 -0.679082D+01  0.295749D+02
      4   0.825059D+01  0.253886D+02 -0.191624D+02 -0.251371D+01  0.116090D+02
      5   0.509613D+01 -0.261865D+01 -0.316184D+01 -0.335387D+00  0.145919D+02
      6   0.217222D+01 -0.155730D+01  0.223635D+01  0.657090D+01 -0.258982D+01
               116           117           118           119           120 
      1  -0.315815D+01  0.504472D+01  0.696053D+02  0.157226D+02  0.134722D+02
      2   0.117861D+02  0.891433D+00 -0.401965D+02 -0.153624D+02 -0.191819D+02
      3  -0.862794D+01 -0.593616D+01 -0.294088D+02 -0.360281D+00  0.570973D+01
      4  -0.146368D+02 -0.107399D+02  0.268301D+02  0.129650D+02  0.620463D+01
      5  -0.673339D+01 -0.534458D+01  0.373309D+02  0.649592D+01  0.190153D+02
      6   0.425638D+01  0.189123D+01  0.627648D+01  0.665468D+01  0.682989D+01
               121           122           123           124           125 
      1   0.425329D+02  0.571901D+01 -0.117507D+02  0.262998D+02 -0.108984D+02
      2  -0.727504D+01  0.760957D+01  0.701961D+01 -0.391718D+01  0.915259D+01
      3  -0.352579D+02 -0.133286D+02  0.473112D+01 -0.223826D+02  0.174584D+01
      4   0.313468D+01  0.143896D+02  0.654994D+01 -0.185858D+02  0.522134D+01
      5  -0.915533D+01  0.709228D+01  0.251249D+00  0.371313D+01  0.266743D+01
      6   0.847339D+01  0.107302D+01 -0.120947D+01 -0.282420D+01  0.426586D+00
               126           127           128           129           130 
      1  -0.488838D+01 -0.366308D+01 -0.117993D+02 -0.282996D+02  0.183854D+01
      2  -0.249426D+01 -0.516774D+01  0.119990D+02 -0.111846D+02  0.479984D+01
      3   0.738264D+01  0.883082D+01 -0.199694D+00  0.394842D+02 -0.663838D+01
      4   0.605087D+01 -0.227485D+02 -0.874552D+00 -0.293862D+00  0.424278D+01
      5   0.589309D+01  0.182545D+01 -0.730846D+00  0.212919D+02  0.174947D+01
      6  -0.622881D+01  0.261925D+01  0.196215D+01 -0.887513D+01  0.284384D+00
               131           132           133           134           135 
      1  -0.227413D+01 -0.525583D+01  0.910513D+01  0.169493D+02 -0.600757D+01
      2   0.944026D+01 -0.228461D+01 -0.285450D+02 -0.104625D+02 -0.314209D+02
      3  -0.716613D+01  0.754044D+01  0.194399D+02 -0.648682D+01  0.374285D+02
      4  -0.237281D+01 -0.154856D+01  0.115774D+02  0.277738D+01 -0.152639D+01
      5  -0.100151D+01 -0.747195D+01  0.292204D+02 -0.497984D+00  0.362832D+02
      6  -0.408613D+01 -0.953544D+01  0.430526D+01 -0.497549D+01 -0.227068D+01
               136           137           138           139           140 
      1  -0.184416D+01  0.563295D+01  0.870471D+01  0.485887D+01  0.106597D+02
      2   0.608933D+01  0.155940D+01 -0.734574D+01 -0.105357D+01 -0.200023D+02
      3  -0.424517D+01 -0.719235D+01 -0.135897D+01 -0.380530D+01  0.934262D+01
      4   0.232573D+01  0.104471D+02  0.386525D+01  0.885296D+01 -0.335301D+01
      5   0.535777D+01  0.289471D+01  0.279021D+01 -0.893658D+00  0.143302D+01
      6   0.972917D+00 -0.126079D+01 -0.109828D+02  0.385326D+01 -0.538446D+01
               141           142           143           144           145 
      1   0.292059D+02 -0.134911D+01  0.244776D+02 -0.222695D+02 -0.219188D+02
      2   0.718306D+01 -0.538532D+01 -0.130728D+02 -0.152929D+02  0.417041D+00
      3  -0.363889D+02  0.673444D+01 -0.114049D+02  0.375624D+02  0.215018D+02
      4   0.433497D+00  0.685759D+01  0.776189D+01 -0.655102D+01  0.258789D+02
      5  -0.167733D+02 -0.890963D-01 -0.647044D+01  0.209141D+02  0.141487D+01
      6   0.172113D+02 -0.337477D+01  0.161688D+02 -0.198992D+02 -0.282774D+00
               146           147           148           149           150 
      1   0.470979D+01  0.110291D+02  0.123561D+02 -0.204980D+02  0.711243D+01
      2   0.179438D+02 -0.596604D+01  0.205487D+02 -0.138937D+02 -0.444579D+01
      3  -0.226536D+02 -0.506310D+01 -0.329049D+02  0.343917D+02 -0.266664D+01
      4  -0.333720D+02  0.650346D+01 -0.598850D+02  0.510732D+02 -0.414221D+00
      5   0.109795D+02  0.375797D+01  0.121495D+02 -0.213885D+01  0.360610D+01
      6  -0.633670D+01 -0.798381D+01 -0.149739D-01  0.896437D+00 -0.695349D+01
               151           152           153           154           155 
      1   0.155687D+02  0.196709D+02  0.158232D+02 -0.559508D+01  0.230278D+02
      2  -0.139562D+02 -0.198419D+01 -0.754340D+01  0.488110D+01 -0.212726D+02
      3  -0.161245D+01 -0.176867D+02 -0.827980D+01  0.713980D+00 -0.175524D+01
      4   0.177953D+02 -0.113765D+02  0.712251D+01  0.295385D+02 -0.227698D+01
      5   0.238255D+01  0.928693D+01  0.454815D+01  0.315109D+02 -0.345772D+02
      6  -0.365461D+01 -0.889501D+01 -0.964659D+01 -0.111384D+02  0.309047D+01
               156           157           158           159           160 
      1   0.205115D+02  0.292461D+02  0.568483D+01 -0.416484D+02  0.160283D+02
      2  -0.104866D+02 -0.244397D+02  0.234015D+01  0.191214D+02 -0.728574D+01
      3  -0.100250D+02 -0.480633D+01 -0.802498D+01  0.225270D+02 -0.874253D+01
      4  -0.341390D+02 -0.352511D+01 -0.209099D+01  0.188759D+02 -0.413097D+02
      5  -0.226669D+02 -0.479418D+02  0.159629D+02 -0.217912D+00 -0.227367D+02
      6   0.923141D+01  0.690676D+01 -0.143554D+01 -0.561284D+01  0.110972D+02
               161           162           163           164           165 
      1  -0.367510D+02 -0.145286D+02 -0.564152D+02 -0.331873D+02 -0.516522D+01
      2   0.147051D+02  0.110171D+02  0.239476D+02  0.158050D+02  0.491537D+01
      3   0.220459D+02  0.351147D+01  0.324676D+02  0.173823D+02  0.249843D+00
      4   0.169387D+02 -0.148210D+01 -0.372376D+02 -0.209106D+02  0.320782D+02
      5  -0.164618D+01  0.194464D+02 -0.447488D+01  0.315681D+02  0.213583D+01
      6  -0.431647D+01 -0.131862D+01  0.819060D+01  0.695082D+00  0.293372D+01
               166           167           168           169           170 
      1  -0.517394D+02 -0.321617D+02  0.445532D+02 -0.226227D+01  0.441747D+02
      2   0.234819D+02  0.157942D+02 -0.221196D+02  0.221393D+01 -0.237035D+02
      3   0.282575D+02  0.163675D+02 -0.224335D+02  0.483377D-01 -0.204712D+02
      4  -0.391113D+02  0.347396D+01 -0.106950D+02  0.492077D+02 -0.793127D+01
      5   0.480884D+02 -0.109255D+02  0.220059D+02 -0.116910D+02  0.203252D+02
      6  -0.320891D+01  0.469905D+01 -0.316532D+01  0.408991D+01 -0.331597D+01
               171           172           173           174           175 
      1  -0.682682D+01 -0.206233D+02  0.420962D+01  0.348146D+01 -0.114289D+01
      2   0.325057D+01  0.137442D+02  0.102211D+01 -0.195568D+01 -0.342149D+01
      3   0.357625D+01  0.687903D+01 -0.523172D+01 -0.152578D+01  0.456438D+01
      4   0.194681D+02 -0.173668D+01 -0.662652D+01 -0.204673D+02 -0.224321D+02
      5  -0.739501D+01 -0.918516D+01 -0.208437D+02 -0.226707D+02 -0.275453D+02
      6   0.499117D+01 -0.607278D+01 -0.702128D+01 -0.730171D+01 -0.871344D+01
               176           177           178           179           180 
      1  -0.452623D+01 -0.217750D+02  0.136273D+02 -0.168327D+02 -0.956012D+01
      2  -0.433148D+01  0.177628D+02  0.235675D+01  0.198751D+02  0.833984D+01
      3   0.885772D+01  0.401223D+01 -0.159841D+02 -0.304237D+01  0.122029D+01
      4  -0.261081D+02 -0.136130D+01 -0.215496D+02  0.278095D+01 -0.288197D+02
      5  -0.118465D+01 -0.189330D+02 -0.322950D+02 -0.304683D+02 -0.327188D+02
      6  -0.276422D+01 -0.739041D+01 -0.156032D+02 -0.104170D+02 -0.148851D+02
               181           182           183           184           185 
      1  -0.654896D+02  0.107130D+01 -0.136969D+02  0.208658D+01  0.141113D+02
      2   0.464601D+02 -0.380604D+00  0.326318D+02 -0.386240D+00 -0.186668D+02
      3   0.190295D+02 -0.690697D+00 -0.189348D+02 -0.170034D+01  0.455553D+01
      4   0.157443D+01 -0.171217D+02  0.671110D+00 -0.127535D+02 -0.174652D+01
      5  -0.366575D+02  0.562929D+00 -0.397225D+02 -0.627474D+00 -0.640680D+01
      6   0.212443D+00 -0.638417D+00 -0.830826D+00 -0.903770D+01  0.763188D-01
               186           187           188           189           190 
      1  -0.978006D-01 -0.251485D+02  0.662755D+00  0.180806D+02  0.304729D+02
      2  -0.909291D+00  0.392377D+02 -0.297852D+00  0.222833D+02 -0.121090D+02
      3   0.100709D+01 -0.140892D+02 -0.364904D+00 -0.403639D+02 -0.183639D+02
      4  -0.400174D+01  0.212445D+01 -0.132836D+02 -0.411365D+00 -0.244195D+02
      5  -0.136251D+01 -0.251749D+02  0.542220D+00 -0.346715D+02 -0.137915D+02
      6  -0.215400D+02 -0.299381D+00 -0.910442D+01  0.103483D+00  0.114515D+02
               191           192           193           194           195 
      1  -0.427195D+00 -0.102637D+01 -0.187727D+01 -0.501691D+02 -0.183141D+02
      2  -0.623555D+01  0.222460D+01 -0.101271D+02  0.798386D+02  0.164072D+02
      3   0.666275D+01 -0.119823D+01  0.120044D+02 -0.296694D+02  0.190687D+01
      4   0.272631D+02  0.115126D+02  0.262944D+02 -0.295464D+02 -0.113374D+02
      5   0.112948D+02  0.204147D+02  0.354560D+01 -0.127720D+02 -0.716128D+01
      6  -0.546668D+01 -0.862134D+01 -0.925620D+01  0.351252D+02  0.327903D+02
               196           197           198           199           200 
      1   0.437968D+00 -0.197095D+02 -0.260667D+02  0.333281D+02 -0.103669D+01
      2   0.472619D+01  0.922831D+01 -0.234332D+01 -0.166020D+02  0.741630D+01
      3  -0.516416D+01  0.104812D+02  0.284100D+02 -0.167261D+02 -0.637961D+01
      4   0.813608D+01 -0.707666D+01 -0.136781D+02  0.221745D+02  0.246189D+02
      5   0.208019D+02 -0.133512D+02 -0.188818D+02 -0.168422D+02 -0.103961D+02
      6  -0.132717D+02  0.349308D+02  0.369743D+02 -0.106615D+02 -0.617712D+01
               201           202           203           204           205 
      1  -0.107985D+01 -0.242685D+01 -0.425396D+02  0.189146D+02  0.157284D+01
      2   0.408295D+01  0.113921D+02  0.651011D+02 -0.158332D+02  0.622185D+01
      3  -0.300310D+01 -0.896527D+01 -0.225614D+02 -0.308139D+01 -0.779469D+01
      4  -0.110749D+02  0.257638D+02  0.298213D+02 -0.136511D+02 -0.796901D+01
      5   0.244610D+02 -0.413582D+01 -0.149270D+02  0.880733D+01  0.246323D+02
      6   0.918388D+01 -0.113372D+02 -0.358916D+02  0.330396D+02  0.143242D+02
               206           207           208           209           210 
      1   0.213508D+02 -0.277164D+02 -0.790024D+01  0.635401D+01  0.187839D+02
      2  -0.977718D+01 -0.867333D+01 -0.779521D+01  0.136357D+01  0.100942D+02
      3  -0.115736D+02  0.363897D+02  0.156954D+02 -0.771758D+01 -0.288781D+02
      4  -0.844744D+01  0.146282D+02 -0.356096D+01  0.176226D+01  0.317818D+01
      5   0.141149D+02 -0.252293D+02 -0.105307D+02  0.307348D+01  0.112396D+02
      6   0.330439D+02 -0.386405D+02  0.842028D+01 -0.716514D+01 -0.139732D+02
               211           212           213           214           215 
      1   0.291062D+01 -0.342743D+01 -0.759383D+00  0.986319D+01 -0.219505D+01
      2  -0.104373D+01  0.481555D+00  0.279470D+01  0.481832D+01 -0.804635D+00
      3  -0.186688D+01  0.294587D+01 -0.203532D+01 -0.146815D+02  0.299969D+01
      4   0.122215D+01 -0.201628D+01 -0.127656D+01  0.143997D+01 -0.197115D+01
      5   0.260360D+01 -0.253314D+01 -0.362619D+01  0.825180D+01 -0.258541D+01
      6  -0.407698D+01  0.441052D+01  0.490813D+01 -0.521867D+01  0.458493D+01
               216           217           218           219           220 
      1  -0.167078D+02  0.378524D+00 -0.182686D+01  0.472315D+01  0.183411D+01
      2  -0.112180D+02 -0.305830D-01 -0.998632D+00  0.379234D+01  0.285270D+01
      3   0.279257D+02 -0.347941D+00  0.282550D+01 -0.851548D+01 -0.468681D+01
      4  -0.260087D+01 -0.214938D+01  0.171735D+01 -0.163470D+01  0.521982D+01
      5  -0.117173D+02  0.718773D+00 -0.256507D+01  0.106733D+01 -0.811893D+01
      6   0.755699D+01 -0.275701D+01  0.104267D+01  0.831894D+00  0.627015D+01
               221           222           223           224           225 
      1  -0.158530D+02  0.189743D+02  0.319734D+00  0.122107D+02 -0.208094D+02
      2   0.282861D+00  0.574146D+01 -0.563296D+00  0.248911D+01 -0.621118D+01
      3   0.155701D+02 -0.247157D+02  0.243562D+00 -0.146998D+02  0.270206D+02
      4  -0.106468D+02  0.108806D+02 -0.259097D+01  0.426179D+01 -0.608661D+01
      5   0.124077D+02 -0.168059D+02  0.285511D+01 -0.744088D+01  0.106091D+02
      6  -0.225728D+02  0.255891D+02 -0.235082D+01  0.158130D+02 -0.210028D+02
               226           227           228           229           230 
      1  -0.334441D+00  0.675394D+00 -0.715336D+01 -0.113186D+02 -0.569839D+01
      2  -0.222826D+01 -0.812992D+00  0.150331D+01  0.830571D+01  0.610459D+01
      3   0.256271D+01  0.137598D+00  0.565006D+01  0.301285D+01 -0.406203D+00
      4  -0.348897D+01 -0.119113D+01 -0.294046D+00 -0.638499D+00  0.510110D+01
      5  -0.226043D+01  0.185953D+01 -0.954425D+00  0.122048D+01 -0.325965D+01
      6  -0.671531D-01  0.105083D+01 -0.318060D+01 -0.488536D+00 -0.298343D+01
               231           232           233           234           235 
      1   0.126010D+01 -0.200800D+02  0.434733D+00 -0.138143D+02  0.509226D+00
      2  -0.507167D+01  0.107940D+02  0.101070D+00 -0.113992D+02  0.616461D+01
      3   0.381157D+01  0.928602D+01 -0.535803D+00  0.252135D+02 -0.667383D+01
      4  -0.416986D+01 -0.106993D+02 -0.649283D+01  0.397155D+01  0.861528D+01
      5  -0.335359D+01  0.118163D+02  0.602552D+01 -0.293672D+02 -0.137660D+00
      6   0.177110D+01  0.223104D+01  0.673816D+01 -0.160025D+02  0.277513D+00
               236           237           238           239           240 
      1   0.449345D+01  0.100846D+01  0.937301D+01 -0.249854D+02  0.880605D+00
      2   0.632913D+00 -0.992960D+00  0.585121D+01  0.537440D+02 -0.491682D+01
      3  -0.512636D+01 -0.155007D-01 -0.152242D+02 -0.287586D+02  0.403622D+01
      4   0.130482D+02 -0.469692D+00  0.238489D+02  0.596421D+02 -0.884247D+01
      5  -0.768455D+00 -0.419386D+00 -0.620208D+01 -0.516318D+01  0.467343D+01
      6  -0.130670D+01 -0.316085D+00 -0.461665D+01 -0.126571D+02  0.690280D+01
               241           242           243           244           245 
      1   0.118890D+01  0.170928D+00 -0.540285D+01  0.564108D+02  0.192184D+02
      2  -0.511711D+00  0.188084D+01  0.365107D+01 -0.331670D+02 -0.990908D+01
      3  -0.677190D+00 -0.205177D+01  0.175178D+01 -0.232438D+02 -0.930930D+01
      4   0.216431D+00  0.708686D+00  0.556995D+01  0.315706D+02  0.180218D+02
      5   0.171794D+01  0.601237D+01 -0.232521D+01 -0.435925D+02 -0.132903D+02
      6   0.141327D+01  0.765307D+01 -0.234655D+01 -0.100647D+02 -0.488858D+01
               246           247           248           249           250 
      1  -0.288642D+02  0.193607D+02  0.111831D+02 -0.652129D+01 -0.471582D+02
      2   0.194174D+02 -0.826618D+01 -0.494218D+01  0.295492D+01  0.337831D+02
      3   0.944672D+01 -0.110945D+02 -0.624092D+01  0.356637D+01  0.133751D+02
      4  -0.154639D+02  0.250679D+02  0.155778D+02 -0.161541D+02 -0.279278D+02
      5   0.331926D+02 -0.152605D+02 -0.154998D+02  0.153200D+02  0.596346D+02
      6   0.758970D+01 -0.801334D+01 -0.692551D+01  0.927995D+01  0.151517D+02
               251           252           253           254           255 
      1  -0.116298D+02  0.321595D+02  0.450697D+02  0.182408D+02  0.179479D+02
      2   0.788166D+01 -0.287095D+02 -0.203814D+02 -0.711229D+01 -0.805511D+01
      3   0.374816D+01 -0.345006D+01 -0.246883D+02 -0.111285D+02 -0.989277D+01
      4  -0.207155D+02  0.279185D+02  0.277255D+02  0.175647D+02  0.968374D+01
      5   0.245788D+02 -0.547556D+02  0.205435D+02  0.695236D+01  0.187407D+02
      6   0.103782D+02 -0.150957D+02  0.495744D+01  0.211461D+01  0.460827D+01
               256           257           258           259           260 
      1   0.233401D+02  0.125721D+02  0.481883D+01  0.420997D+02  0.129184D+02
      2  -0.773660D+01 -0.139519D+01  0.850238D+00 -0.186143D+02 -0.289742D+01
      3  -0.156035D+02 -0.111769D+02 -0.566907D+01 -0.234854D+02 -0.100209D+02
      4   0.252259D+02  0.189421D+02  0.130240D+02  0.252053D+02  0.229733D+02
      5   0.794345D+01  0.116565D+02  0.115655D+02  0.343470D+02  0.190753D+02
      6   0.399843D+01  0.515293D+01  0.606402D+01  0.101960D+02  0.648657D+01
               261           262           263           264           265 
      1   0.249526D+02 -0.164635D+02 -0.119675D+02 -0.989924D+01 -0.159104D+02
      2  -0.122621D+02  0.886112D+01  0.507109D+01  0.328039D+01  0.831157D+01
      3  -0.126904D+02  0.760238D+01  0.689638D+01  0.661885D+01  0.759886D+01
      4   0.224921D+02 -0.825440D+01 -0.248508D+01 -0.222022D+00  0.456901D+01
      5   0.313515D+02 -0.605178D+01 -0.500760D+00 -0.933221D+01  0.240310D+01
      6   0.906646D+01  0.426661D+01  0.891119D+00  0.294194D+01  0.151180D+01
               266           267           268           269           270 
      1  -0.377595D+01 -0.216891D+01 -0.152992D+02 -0.714579D+01 -0.148929D+02
      2   0.215834D+01  0.130572D+01  0.667656D+01  0.171779D+01 -0.203208D+01
      3   0.161761D+01  0.863194D+00  0.862264D+01  0.542800D+01  0.169249D+02
      4  -0.592594D+01 -0.705673D+01  0.735511D+00 -0.132133D+02 -0.114844D+02
      5  -0.698436D+01 -0.960376D+01  0.108550D+01 -0.125839D+02 -0.289142D+02
      6   0.444568D+01  0.683139D+01  0.635432D+00  0.754862D+01  0.106134D+02
               271           272           273           274           275 
      1   0.144296D+03 -0.432640D+02 -0.158936D+02 -0.406772D+02  0.264219D+02
      2  -0.698172D+02  0.186272D+02  0.880029D+01  0.151202D+02 -0.852723D+01
      3  -0.744784D+02  0.246368D+02  0.709329D+01  0.255570D+02 -0.178947D+02
      4  -0.591350D+02  0.323633D+02  0.617550D+01  0.390030D+02 -0.235902D+02
      5  -0.234050D+02  0.658110D+01  0.123173D+02  0.798869D+01 -0.485924D+01
      6   0.759624D+01 -0.407835D+01 -0.285530D+01 -0.464197D+01  0.288786D+01
               276           277           278           279           280 
      1   0.452322D+01 -0.416693D+01  0.101620D+01  0.113502D+02  0.691741D+02
      2  -0.228080D+01  0.312823D+01 -0.143479D+01 -0.663346D+01 -0.446564D+02
      3  -0.224242D+01  0.103870D+01  0.418582D+00 -0.471675D+01 -0.245177D+02
      4  -0.453714D+01  0.271648D+01 -0.169544D+01 -0.856682D+01 -0.189622D+02
      5  -0.656190D+01  0.171539D+02 -0.870920D+01 -0.450163D+01  0.533546D+02
      6   0.295243D+01 -0.385604D+01  0.298461D+01  0.194367D+01 -0.988936D+01
               281           282           283           284           285 
      1  -0.841119D+01  0.288954D+02  0.625869D+01  0.470519D+01  0.679962D-01
      2   0.497623D+01 -0.212990D+02 -0.681071D+01 -0.834092D+00 -0.281898D+01
      3   0.343496D+01 -0.759639D+01  0.552024D+00 -0.387110D+01  0.275098D+01
      4   0.102458D+02 -0.109711D+02  0.127916D+02 -0.791164D+01  0.775085D+01
      5  -0.103499D+02  0.397048D+02  0.184938D+00  0.889351D+01  0.294552D+01
      6   0.439799D+01 -0.833797D+01  0.435932D+01 -0.227341D+01  0.423894D+01
               286           287           288           289           290 
      1   0.475550D+02 -0.110393D+02  0.255257D+02 -0.163683D+01 -0.925383D+01
      2  -0.366928D+02  0.737994D+01 -0.283726D+02  0.264439D+01  0.640285D+01
      3  -0.108622D+02  0.365937D+01  0.284687D+01 -0.100756D+01  0.285098D+01
      4  -0.222214D+02  0.105681D+02 -0.130359D+02 -0.646122D+01  0.101756D+01
      5   0.591047D+02 -0.131178D+02  0.538581D+02  0.322322D+01  0.504557D-01
      6  -0.139089D+02  0.736046D+01 -0.118720D+02  0.150933D+00 -0.276739D+01
               291           292           293           294           295 
      1   0.314286D+01 -0.150190D+02 -0.152271D+02  0.212466D+01  0.114884D+01
      2  -0.200606D+01 -0.405494D+00  0.358920D+02 -0.337415D+01 -0.256343D+01
      3  -0.113680D+01  0.154245D+02 -0.206649D+02  0.124949D+01  0.141459D+01
      4   0.355981D+00  0.213407D+02 -0.552142D+02  0.737444D+01 -0.248868D+01
      5   0.344826D+01 -0.397478D+01  0.978077D+01 -0.750905D+01  0.109020D+02
      6  -0.900401D-02  0.388596D+01 -0.123802D+02  0.670963D+01 -0.207287D+01
               296           297           298           299           300 
      1  -0.223750D+00  0.323631D+01 -0.545993D+01 -0.237483D+02 -0.470715D+01
      2   0.171291D+01 -0.102390D+01  0.186166D+02  0.495905D+02  0.736197D+01
      3  -0.148916D+01 -0.221242D+01 -0.131567D+02 -0.258422D+02 -0.265482D+01
      4  -0.142311D+01 -0.525567D+01  0.226829D+02  0.352324D+02  0.795803D+01
      5  -0.547628D+01  0.294314D+01  0.492420D+01  0.546008D+01  0.488672D+01
      6   0.506890D+01 -0.239898D+01  0.973038D+01  0.164489D+02  0.636316D+01
               301           302           303           304           305 
      1  -0.122113D+02 -0.489344D+02 -0.861276D+01 -0.134007D+01 -0.368214D+01
      2   0.255840D+02  0.922201D+02  0.141358D+02  0.199200D+01  0.278979D+01
      3  -0.133727D+02 -0.432857D+02 -0.552301D+01 -0.651930D+00  0.892349D+00
      4   0.208961D+02  0.403421D+02  0.667426D+01  0.371868D+01  0.466881D+01
      5   0.323897D+01  0.554064D+01  0.225016D+01  0.430215D+01  0.382515D+01
      6   0.809924D+01  0.268038D+02  0.123748D+02  0.397736D+01  0.170097D+02
               306           307           308           309           310 
      1  -0.738539D+01 -0.330345D+00  0.785850D+01  0.495444D+01  0.300262D+01
      2   0.981164D+01  0.254568D+01 -0.845513D+01 -0.364272D+01 -0.351841D+01
      3  -0.242625D+01 -0.221533D+01  0.596626D+00 -0.131172D+01  0.515792D+00
      4   0.531438D+01 -0.148359D+02  0.114452D+02  0.959651D+01  0.659734D+01
      5   0.291175D+01 -0.768085D+01  0.494797D+01  0.592839D+01  0.162326D+01
      6   0.662135D+01  0.136967D+02 -0.109506D+02 -0.156656D+02 -0.480399D+01
               311           312           313           314           315 
      1  -0.823940D+01 -0.583861D+01  0.467216D+01 -0.111902D+02 -0.103987D+02
      2   0.124528D+02  0.832119D+01 -0.179984D+01  0.112383D+02  0.324836D+01
      3  -0.421338D+01 -0.248258D+01 -0.287232D+01 -0.481645D-01  0.715039D+01
      4  -0.485241D+01 -0.308921D+01  0.939554D+01 -0.475332D+01 -0.858082D+01
      5  -0.239821D+01 -0.206753D+01  0.602465D+01 -0.349662D+01 -0.591533D+01
      6   0.120761D+02  0.942690D+01 -0.123932D+02  0.161550D+02  0.212308D+02
               316           317           318           319           320 
      1  -0.156935D+00 -0.696961D+01  0.488393D+01 -0.238318D+01 -0.758746D+01
      2   0.212618D+01  0.726145D+01 -0.300424D+01  0.288169D+01  0.112801D+02
      3  -0.196924D+01 -0.291839D+00 -0.187968D+01 -0.498507D+00 -0.369268D+01
      4   0.149761D+02  0.111910D+02 -0.100988D+02  0.605641D+01  0.460688D+01
      5  -0.823756D+01 -0.531410D+01  0.671228D+01 -0.162287D+01 -0.243728D+01
      6  -0.139127D+02 -0.108322D+02  0.161878D+02 -0.449809D+01 -0.112600D+02
               321           322           323           324           325 
      1   0.542377D+01  0.473407D+01  0.103801D+02 -0.100184D+02 -0.550093D+01
      2  -0.785018D+01 -0.172689D+01 -0.101034D+02  0.243177D+01  0.173250D+02
      3   0.242641D+01 -0.300718D+01 -0.276681D+00  0.758663D+01 -0.118241D+02
      4  -0.301286D+01 -0.934003D+01 -0.507807D+01  0.887951D+01 -0.209821D+02
      5   0.202068D+01  0.648430D+01  0.385856D+01 -0.677335D+01  0.497475D+01
      6   0.884750D+01  0.124172D+02  0.156651D+02 -0.211490D+02 -0.985880D+01
               326           327           328           329           330 
      1   0.244802D+02 -0.523809D+01  0.117444D+02 -0.503063D+02  0.940613D+01
      2  -0.489381D+02  0.795522D+01 -0.237206D+02  0.921788D+02 -0.152347D+02
      3   0.244579D+02 -0.271713D+01  0.119762D+02 -0.418725D+02  0.582853D+01
      4   0.335492D+02 -0.824263D+01  0.194154D+02 -0.375352D+02  0.692713D+01
      5  -0.573586D+01  0.493657D+01 -0.347976D+01  0.565083D+01 -0.229600D+01
      6   0.173099D+02 -0.681738D+01  0.825587D+01 -0.286259D+02  0.130861D+02
               331           332           333           334           335 
      1  -0.172681D+01  0.493678D+01 -0.784344D+01 -0.753070D+01 -0.573596D+01
      2   0.249168D+01 -0.436913D+01  0.999850D+01 -0.808534D+01 -0.100548D+01
      3  -0.764878D+00 -0.567644D+00 -0.215506D+01  0.156160D+02  0.674144D+01
      4  -0.385350D+01  0.527614D+01 -0.515799D+01  0.399289D+01  0.210403D+01
      5   0.420916D+01 -0.376000D+01  0.294788D+01 -0.124495D+02 -0.327648D+01
      6  -0.395223D+01  0.174983D+02 -0.747330D+01 -0.821995D+01 -0.656276D+01
               336           337           338           339           340 
      1   0.174718D+02 -0.227857D+01 -0.261229D+01 -0.929163D-01  0.909188D+01
      2   0.104558D+02  0.122851D+01  0.107127D+00 -0.322643D+01  0.536587D+01
      3  -0.279275D+02  0.105006D+01  0.250516D+01  0.331935D+01 -0.144578D+02
      4  -0.340865D+01  0.174662D+01  0.202869D+01 -0.143316D+01 -0.186378D+01
      5   0.128184D+02 -0.218796D+01 -0.275744D+01  0.299851D+01  0.901544D+01
      6   0.127813D+02 -0.397650D+01 -0.381483D+01  0.424083D+01  0.488729D+01
               341           342           343           344           345 
      1   0.132889D+01 -0.146388D+02 -0.668525D+00  0.198881D+01  0.500135D+01
      2   0.788345D+00 -0.105314D+02  0.136913D+00  0.113679D+01  0.370308D+01
      3  -0.211724D+01  0.251702D+02  0.531612D+00 -0.312560D+01 -0.870443D+01
      4  -0.194878D+01  0.270665D+01  0.258746D+01  0.177562D+01  0.200012D+01
      5   0.259728D+01 -0.123246D+02  0.114700D+01  0.313505D+01  0.164313D+01
      6   0.408981D+01 -0.595990D+01  0.346388D+01  0.964302D+00 -0.899091D+00
               346           347           348           349           350 
      1  -0.114920D+01 -0.165138D+02 -0.197867D+02  0.292129D+00 -0.124705D+02
      2  -0.300926D+01  0.574580D+00 -0.556286D+01 -0.270786D+00 -0.192638D+01
      3   0.415846D+01  0.159392D+02  0.253496D+02 -0.213428D-01  0.143969D+02
      4   0.449123D+01  0.998842D+01  0.100658D+02  0.295137D+01  0.367062D+01
      5   0.761626D+01  0.113280D+02  0.159525D+02  0.258113D+01  0.706682D+01
      6   0.547491D+01  0.226359D+02  0.256520D+02  0.245475D+01  0.160350D+02
               351           352           353           354           355 
      1  -0.206835D+02  0.292513D+02 -0.137970D+02 -0.720416D+00 -0.189581D+02
      2  -0.524451D+01 -0.171396D+00 -0.840074D+01  0.165314D+01 -0.145154D+02
      3   0.259280D+02 -0.290799D+02  0.221977D+02 -0.932728D+00  0.334735D+02
      4   0.574286D+01 -0.391440D+02  0.370692D+02 -0.308365D+01  0.551081D+02
      5   0.877138D+01  0.508747D+00 -0.447640D+01  0.491893D+01  0.107614D+01
      6   0.208729D+02 -0.223507D+01  0.791981D+00 -0.896558D+00 -0.777685D+00
               356           357           358           359           360 
      1   0.517016D+01  0.292316D+01  0.907451D+01 -0.364104D+01 -0.307120D+01
      2   0.347574D+02 -0.323519D+01  0.217506D+01 -0.884966D+01  0.377622D+01
      3  -0.399275D+02  0.312027D+00 -0.112496D+02  0.124907D+02 -0.705016D+00
      4  -0.685631D+02  0.933536D+00 -0.186711D+02  0.198663D+02 -0.889709D+01
      5   0.430075D+01 -0.726566D+01  0.612848D+01 -0.960422D+01  0.481516D+01
      6  -0.108912D+01  0.632509D+01 -0.397611D+01  0.902497D+01 -0.274044D+01
               361           362           363           364           365 
      1  -0.136628D+02 -0.760421D+01 -0.833437D+01 -0.695663D+01 -0.691144D+01
      2   0.881745D+01  0.369823D+01  0.437211D+01  0.897318D+00  0.970278D+01
      3   0.484534D+01  0.390597D+01  0.396225D+01  0.605931D+01 -0.279134D+01
      4   0.178698D+01  0.253589D+01 -0.121415D+01  0.105325D+02 -0.125151D+02
      5  -0.374891D+00 -0.279068D+01 -0.188905D+01  0.626594D+00 -0.517118D+01
      6   0.274996D+01  0.433629D+01  0.561821D+01  0.924346D+00  0.850735D+01
               366           367           368           369           370 
      1  -0.734920D+01 -0.140123D+02 -0.142330D+02 -0.165842D+02  0.707687D+02
      2   0.566139D+01  0.933463D+01  0.668962D+01  0.255285D+01 -0.414915D+02
      3   0.168781D+01  0.467764D+01  0.754333D+01  0.140313D+02 -0.292772D+02
      4  -0.546635D+01  0.382367D+00 -0.594854D+01 -0.907396D+01 -0.366949D+02
      5  -0.509445D+01  0.493666D+01 -0.103501D+02 -0.172620D+02 -0.526169D+02
      6   0.905578D+01  0.253267D+00  0.135466D+02  0.186940D+02  0.121299D+02
               371           372           373           374           375 
      1  -0.209865D+02 -0.316119D+02 -0.283346D+02  0.133125D+02  0.146305D+02
      2   0.116732D+02  0.222144D+02  0.151706D+02 -0.560075D+01 -0.935132D+01
      3   0.931331D+01  0.939740D+01  0.131641D+02 -0.771171D+01 -0.527919D+01
      4   0.204909D+02  0.218922D+02  0.299979D+02 -0.241001D+02 -0.206008D+02
      5   0.207528D+02  0.378886D+02  0.282364D+02 -0.199309D+02 -0.202314D+02
      6  -0.639358D+01 -0.808241D+01 -0.109725D+02  0.906171D+01  0.103867D+02
               376           377           378           379           380 
      1  -0.279511D+02  0.994853D+01  0.216328D+02 -0.170567D+02  0.572675D+01
      2   0.226152D+02 -0.762283D+01 -0.207328D+02  0.734014D+01  0.406740D+00
      3   0.533586D+01 -0.232570D+01 -0.900045D+00  0.971654D+01 -0.613349D+01
      4   0.208915D+02 -0.135549D+02 -0.184982D+02  0.566667D+01 -0.435934D+01
      5   0.436292D+02 -0.169993D+02 -0.407432D+02 -0.470535D+01  0.300991D+01
      6  -0.106942D+02  0.825589D+01  0.104760D+02 -0.253319D+01  0.697589D+00
               381           382           383           384           385 
      1  -0.815841D+01  0.159008D+02 -0.883461D+01  0.104332D+02 -0.117651D+02
      2   0.120231D+01 -0.773616D+01  0.177573D+01  0.111833D+00  0.551761D+01
      3   0.695610D+01 -0.816460D+01  0.705888D+01 -0.105450D+02  0.624746D+01
      4   0.405858D+01 -0.198614D+01  0.140593D+02 -0.104123D+02  0.389131D+01
      5  -0.111817D+01  0.278800D+01 -0.918707D+01  0.159624D+02  0.667483D+01
      6  -0.868604D+00  0.928411D+00 -0.643506D+01  0.541892D+01 -0.220087D+01
               386           387           388           389           390 
      1   0.816810D+01 -0.792125D+01  0.124288D+03  0.394428D+02 -0.128634D+02
      2   0.473541D+00 -0.760515D+01 -0.590810D+02 -0.169927D+02  0.646416D+01
      3  -0.864164D+01  0.155264D+02 -0.652070D+02 -0.224501D+02  0.639925D+01
      4  -0.862888D+01  0.775870D+01  0.484510D+02  0.275902D+02 -0.798056D+01
      5   0.776257D+01 -0.239479D+02 -0.148575D+02 -0.724890D+01  0.127123D+02
      6   0.577742D+01 -0.451425D+01 -0.487139D+01 -0.158248D+01  0.158628D+01
               391           392           393           394           395 
      1   0.641662D+02  0.332312D+02 -0.100396D+02 -0.322945D+02 -0.139123D+02
      2  -0.269578D+02 -0.115749D+02  0.446911D+01  0.159088D+02  0.665158D+01
      3  -0.372084D+02 -0.216563D+02  0.557047D+01  0.163857D+02  0.726069D+01
      4   0.460506D+02  0.318283D+02 -0.433661D+01 -0.174042D+02 -0.758578D+01
      5  -0.119718D+02 -0.386123D+01  0.621271D+01  0.229319D+02  0.671283D+01
      6  -0.304670D+01 -0.276792D+01  0.303938D+01  0.426196D+01  0.370146D+01
               396           397           398           399           400 
      1   0.161525D+02  0.502699D+02 -0.123232D+02  0.179400D+02 -0.335749D+02
      2  -0.879642D+01 -0.262097D+02  0.607345D+01 -0.105402D+02  0.161891D+02
      3  -0.735611D+01 -0.240602D+02  0.624972D+01 -0.739980D+01  0.173858D+02
      4   0.687295D+01 -0.168403D+02  0.148075D+02 -0.105872D+02  0.317940D+02
      5  -0.100379D+02  0.233618D+02 -0.108356D+02  0.152764D+02 -0.244472D+02
      6  -0.244492D+01 -0.490390D+01  0.257100D+01 -0.285101D+01  0.644492D+01
               401           402           403           404           405 
      1   0.208143D+02 -0.176240D+02  0.359666D+02 -0.147358D+02  0.185348D+02
      2  -0.855934D+01  0.899163D+01 -0.222228D+02  0.938692D+01 -0.145061D+02
      3  -0.122550D+02  0.863239D+01 -0.137438D+02  0.534890D+01 -0.402873D+01
      4  -0.289911D+02  0.169082D+02 -0.200789D+02  0.154569D+02 -0.169383D+02
      5   0.170597D+02 -0.226301D+02  0.308492D+02 -0.169692D+02  0.331331D+02
      6  -0.662509D+01  0.642721D+01 -0.614808D+01  0.581358D+01 -0.638280D+01
               406           407           408           409           410 
      1  -0.154196D+01  0.476285D+01 -0.454075D+01  0.191618D+02 -0.488671D+01
      2   0.295242D+01 -0.282719D+01  0.309560D+01 -0.375108D+01  0.212796D+02
      3  -0.141046D+01 -0.193566D+01  0.144515D+01 -0.154107D+02 -0.163929D+02
      4   0.488351D+01  0.412420D+01 -0.112578D+01  0.212932D+02  0.385229D+02
      5  -0.488030D+01  0.339784D+00  0.202613D+01  0.510383D+01 -0.322884D+01
      6  -0.359432D+01 -0.120157D+01  0.102802D+01  0.280228D+01  0.176690D+00
               411           412           413           414           415 
      1   0.589686D+01 -0.246317D+02  0.390804D+01 -0.143141D+01  0.239808D+02
      2  -0.622239D+01  0.938376D+01 -0.977027D+01  0.315974D+01 -0.168012D+02
      3   0.325528D+00  0.152479D+02  0.586223D+01 -0.172833D+01 -0.717962D+01
      4  -0.359584D+01 -0.375078D+01 -0.143977D+02  0.938087D+01  0.175842D+02
      5   0.800635D+01  0.421958D+01  0.995759D+01 -0.402089D+01  0.282312D+02
      6   0.546952D+01  0.187735D+01  0.419451D+01 -0.130120D+01  0.959734D+01
               416           417           418           419           420 
      1   0.673413D+01  0.131874D+02  0.863974D+01  0.336658D+01  0.339731D+01
      2  -0.376984D+01 -0.940488D+01 -0.279208D+01  0.820452D-01 -0.190192D+01
      3  -0.296429D+01 -0.378250D+01 -0.584767D+01 -0.344862D+01 -0.149539D+01
      4   0.138342D+02  0.156431D+02  0.208052D+02  0.224833D+02  0.174669D+02
      5   0.157168D+02  0.255099D+02  0.168805D+02  0.184622D+02  0.173452D+02
      6   0.614279D+01  0.769819D+01  0.997561D+01  0.112965D+02  0.130925D+02
               421           422           423 
      1   0.237334D+02  0.551612D+01  0.573794D+01
      2  -0.197266D+02 -0.709115D+01 -0.166563D+02
      3  -0.400680D+01  0.157503D+01  0.109183D+02
      4   0.264483D+02  0.216609D+02  0.297769D+02
      5   0.426577D+02  0.309232D+02  0.555292D+02
      6   0.174876D+02  0.172269D+02  0.226947D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 05:58:00 2021, MaxMem= 10737418240 cpu:          574351.9 elap:           35935.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.49494-101.49389 -10.20676 -10.20603 -10.20375
 Alpha  occ. eigenvalues --  -10.20347 -10.20172 -10.20061 -10.19991 -10.19951
 Alpha  occ. eigenvalues --  -10.19750 -10.19684 -10.19654 -10.19502 -10.19244
 Alpha  occ. eigenvalues --  -10.19202 -10.18614 -10.18490 -10.18184 -10.18161
 Alpha  occ. eigenvalues --  -10.18052 -10.17812  -9.41220  -9.41118  -7.16995
 Alpha  occ. eigenvalues --   -7.16896  -7.16789  -7.16699  -7.16686  -7.16596
 Alpha  occ. eigenvalues --   -2.11380  -1.26500  -1.26395  -1.26364  -0.91062
 Alpha  occ. eigenvalues --   -0.89914  -0.82920  -0.82250  -0.81209  -0.77258
 Alpha  occ. eigenvalues --   -0.76474  -0.76093  -0.75783  -0.73144  -0.72427
 Alpha  occ. eigenvalues --   -0.71414  -0.68458  -0.64642  -0.63824  -0.62751
 Alpha  occ. eigenvalues --   -0.59098  -0.58955  -0.55932  -0.55699  -0.52003
 Alpha  occ. eigenvalues --   -0.51612  -0.51082  -0.48563  -0.46894  -0.46562
 Alpha  occ. eigenvalues --   -0.46363  -0.45254  -0.44901  -0.44772  -0.44000
 Alpha  occ. eigenvalues --   -0.43876  -0.41603  -0.41317  -0.40443  -0.40011
 Alpha  occ. eigenvalues --   -0.39855  -0.39003  -0.38905  -0.38260  -0.37710
 Alpha  occ. eigenvalues --   -0.36753  -0.36680  -0.36175  -0.36030  -0.34148
 Alpha  occ. eigenvalues --   -0.33921  -0.33067  -0.32991  -0.32908  -0.32619
 Alpha  occ. eigenvalues --   -0.32298  -0.31961  -0.30942  -0.30175  -0.29704
 Alpha  occ. eigenvalues --   -0.28722  -0.25553  -0.24659  -0.24217  -0.23332
 Alpha virt. eigenvalues --   -0.06831  -0.02355  -0.02310  -0.01935  -0.01216
 Alpha virt. eigenvalues --   -0.00780  -0.00418  -0.00345   0.00267   0.00737
 Alpha virt. eigenvalues --    0.00759   0.01040   0.01394   0.01650   0.02278
 Alpha virt. eigenvalues --    0.02426   0.02631   0.02909   0.03060   0.03490
 Alpha virt. eigenvalues --    0.03530   0.03897   0.04046   0.04215   0.04481
 Alpha virt. eigenvalues --    0.04647   0.04782   0.04898   0.05047   0.05233
 Alpha virt. eigenvalues --    0.05530   0.05743   0.06095   0.06248   0.06628
 Alpha virt. eigenvalues --    0.06963   0.07144   0.07476   0.07654   0.07759
 Alpha virt. eigenvalues --    0.08091   0.08102   0.08369   0.08457   0.08572
 Alpha virt. eigenvalues --    0.09254   0.09423   0.09539   0.09832   0.10072
 Alpha virt. eigenvalues --    0.10254   0.10349   0.10521   0.10654   0.10786
 Alpha virt. eigenvalues --    0.11090   0.11250   0.11503   0.11799   0.12024
 Alpha virt. eigenvalues --    0.12271   0.12430   0.12533   0.12780   0.12907
 Alpha virt. eigenvalues --    0.13089   0.13116   0.13301   0.13510   0.13752
 Alpha virt. eigenvalues --    0.14006   0.14022   0.14167   0.14455   0.14694
 Alpha virt. eigenvalues --    0.15027   0.15249   0.15543   0.15604   0.15789
 Alpha virt. eigenvalues --    0.16073   0.16354   0.16503   0.16659   0.16944
 Alpha virt. eigenvalues --    0.17301   0.17675   0.17787   0.17917   0.17999
 Alpha virt. eigenvalues --    0.18163   0.18342   0.18455   0.18554   0.19034
 Alpha virt. eigenvalues --    0.19250   0.19458   0.19652   0.19757   0.20146
 Alpha virt. eigenvalues --    0.20379   0.20486   0.20731   0.21024   0.21233
 Alpha virt. eigenvalues --    0.21413   0.21698   0.21776   0.21943   0.22069
 Alpha virt. eigenvalues --    0.22393   0.22736   0.22985   0.23195   0.23275
 Alpha virt. eigenvalues --    0.23404   0.23503   0.23694   0.24056   0.24084
 Alpha virt. eigenvalues --    0.24420   0.24575   0.24798   0.25130   0.25172
 Alpha virt. eigenvalues --    0.25340   0.25517   0.25692   0.25887   0.26079
 Alpha virt. eigenvalues --    0.26345   0.26462   0.26869   0.27077   0.27171
 Alpha virt. eigenvalues --    0.27566   0.27618   0.27924   0.28374   0.28537
 Alpha virt. eigenvalues --    0.28624   0.28742   0.29061   0.29478   0.29699
 Alpha virt. eigenvalues --    0.29886   0.30028   0.30360   0.30574   0.30638
 Alpha virt. eigenvalues --    0.30951   0.31405   0.31662   0.31989   0.32430
 Alpha virt. eigenvalues --    0.32498   0.32576   0.32939   0.33120   0.33556
 Alpha virt. eigenvalues --    0.33818   0.34280   0.34480   0.34807   0.34868
 Alpha virt. eigenvalues --    0.35258   0.35421   0.35837   0.36261   0.36399
 Alpha virt. eigenvalues --    0.36563   0.36805   0.37050   0.37357   0.37708
 Alpha virt. eigenvalues --    0.37856   0.38071   0.38146   0.38712   0.38950
 Alpha virt. eigenvalues --    0.39220   0.39448   0.39662   0.39790   0.40229
 Alpha virt. eigenvalues --    0.40585   0.40673   0.41050   0.41486   0.41713
 Alpha virt. eigenvalues --    0.41755   0.41874   0.42396   0.42491   0.42740
 Alpha virt. eigenvalues --    0.42962   0.43061   0.43982   0.44155   0.44489
 Alpha virt. eigenvalues --    0.44690   0.45268   0.45474   0.45817   0.46070
 Alpha virt. eigenvalues --    0.46216   0.46377   0.46766   0.47023   0.47649
 Alpha virt. eigenvalues --    0.47725   0.47829   0.48030   0.48746   0.49132
 Alpha virt. eigenvalues --    0.49495   0.49879   0.49959   0.50642   0.50860
 Alpha virt. eigenvalues --    0.51429   0.51655   0.51828   0.51924   0.52392
 Alpha virt. eigenvalues --    0.52778   0.53544   0.53910   0.53996   0.54567
 Alpha virt. eigenvalues --    0.54884   0.55205   0.55313   0.55601   0.55716
 Alpha virt. eigenvalues --    0.55900   0.56081   0.56402   0.56552   0.56727
 Alpha virt. eigenvalues --    0.57057   0.57385   0.57786   0.58054   0.58343
 Alpha virt. eigenvalues --    0.58669   0.58899   0.59163   0.59334   0.59731
 Alpha virt. eigenvalues --    0.59998   0.60243   0.60304   0.60655   0.60777
 Alpha virt. eigenvalues --    0.61082   0.61304   0.61497   0.61755   0.61902
 Alpha virt. eigenvalues --    0.62288   0.62422   0.62769   0.63031   0.63205
 Alpha virt. eigenvalues --    0.63689   0.63865   0.64277   0.64845   0.65224
 Alpha virt. eigenvalues --    0.65437   0.65630   0.65871   0.66310   0.66555
 Alpha virt. eigenvalues --    0.66936   0.66975   0.67194   0.67365   0.67866
 Alpha virt. eigenvalues --    0.68333   0.68452   0.68609   0.68759   0.69212
 Alpha virt. eigenvalues --    0.69953   0.70199   0.70441   0.70639   0.71080
 Alpha virt. eigenvalues --    0.71482   0.71688   0.71950   0.72220   0.72427
 Alpha virt. eigenvalues --    0.72842   0.73026   0.73353   0.73604   0.73832
 Alpha virt. eigenvalues --    0.74055   0.74382   0.74899   0.75177   0.75581
 Alpha virt. eigenvalues --    0.75929   0.76202   0.76511   0.76852   0.77171
 Alpha virt. eigenvalues --    0.77949   0.78016   0.78451   0.78794   0.78919
 Alpha virt. eigenvalues --    0.79338   0.80088   0.80478   0.80520   0.80935
 Alpha virt. eigenvalues --    0.81109   0.81289   0.81736   0.82429   0.82476
 Alpha virt. eigenvalues --    0.82873   0.83324   0.83618   0.83897   0.84421
 Alpha virt. eigenvalues --    0.84797   0.85086   0.85433   0.85851   0.86411
 Alpha virt. eigenvalues --    0.86863   0.87288   0.87460   0.88059   0.88657
 Alpha virt. eigenvalues --    0.88730   0.89369   0.89521   0.90250   0.90590
 Alpha virt. eigenvalues --    0.91088   0.91305   0.91604   0.92010   0.92789
 Alpha virt. eigenvalues --    0.93096   0.93401   0.93561   0.94524   0.94668
 Alpha virt. eigenvalues --    0.94813   0.95364   0.96316   0.96821   0.96911
 Alpha virt. eigenvalues --    0.97234   0.97683   0.97937   0.98858   0.99362
 Alpha virt. eigenvalues --    0.99840   1.00290   1.01407   1.01713   1.01804
 Alpha virt. eigenvalues --    1.02233   1.02886   1.03083   1.03258   1.03675
 Alpha virt. eigenvalues --    1.04618   1.05170   1.05498   1.06430   1.06782
 Alpha virt. eigenvalues --    1.07525   1.08029   1.08866   1.09344   1.09975
 Alpha virt. eigenvalues --    1.10124   1.10935   1.11353   1.11799   1.13124
 Alpha virt. eigenvalues --    1.13944   1.14207   1.14432   1.15313   1.16078
 Alpha virt. eigenvalues --    1.16556   1.17383   1.17437   1.18596   1.19159
 Alpha virt. eigenvalues --    1.19634   1.20413   1.20865   1.21274   1.21835
 Alpha virt. eigenvalues --    1.22847   1.23641   1.24480   1.24566   1.25239
 Alpha virt. eigenvalues --    1.26295   1.26510   1.26707   1.27304   1.27848
 Alpha virt. eigenvalues --    1.28881   1.29270   1.30228   1.30755   1.31483
 Alpha virt. eigenvalues --    1.31993   1.32943   1.33548   1.34576   1.34985
 Alpha virt. eigenvalues --    1.35627   1.35722   1.36806   1.37698   1.38014
 Alpha virt. eigenvalues --    1.38315   1.39198   1.39494   1.39610   1.40810
 Alpha virt. eigenvalues --    1.41694   1.42182   1.42627   1.43099   1.43521
 Alpha virt. eigenvalues --    1.44093   1.44863   1.45626   1.45844   1.46320
 Alpha virt. eigenvalues --    1.46387   1.47642   1.47889   1.48354   1.48492
 Alpha virt. eigenvalues --    1.48979   1.49397   1.49805   1.50826   1.51354
 Alpha virt. eigenvalues --    1.52089   1.52271   1.53750   1.53880   1.54334
 Alpha virt. eigenvalues --    1.54915   1.55253   1.55997   1.56975   1.57730
 Alpha virt. eigenvalues --    1.58569   1.58877   1.59448   1.60004   1.60633
 Alpha virt. eigenvalues --    1.61705   1.62275   1.62500   1.62936   1.63319
 Alpha virt. eigenvalues --    1.64271   1.64784   1.65897   1.66297   1.66734
 Alpha virt. eigenvalues --    1.67140   1.67629   1.68104   1.68820   1.68992
 Alpha virt. eigenvalues --    1.69353   1.69450   1.69741   1.70965   1.71086
 Alpha virt. eigenvalues --    1.71921   1.72009   1.72818   1.72961   1.73744
 Alpha virt. eigenvalues --    1.74519   1.75265   1.75747   1.76504   1.77183
 Alpha virt. eigenvalues --    1.77301   1.78090   1.79092   1.79515   1.79803
 Alpha virt. eigenvalues --    1.80407   1.80725   1.82238   1.82539   1.82974
 Alpha virt. eigenvalues --    1.84517   1.85060   1.85516   1.86074   1.86586
 Alpha virt. eigenvalues --    1.87151   1.87487   1.88076   1.88337   1.89089
 Alpha virt. eigenvalues --    1.89989   1.90581   1.91194   1.91772   1.92003
 Alpha virt. eigenvalues --    1.92690   1.93317   1.93650   1.94290   1.94885
 Alpha virt. eigenvalues --    1.95021   1.96041   1.96433   1.96957   1.97225
 Alpha virt. eigenvalues --    1.97497   1.97956   1.98600   1.98755   1.99101
 Alpha virt. eigenvalues --    1.99669   2.00065   2.00740   2.00914   2.01820
 Alpha virt. eigenvalues --    2.02214   2.02376   2.03472   2.03560   2.04343
 Alpha virt. eigenvalues --    2.04943   2.05410   2.06039   2.06556   2.07496
 Alpha virt. eigenvalues --    2.08262   2.08398   2.09098   2.09586   2.10042
 Alpha virt. eigenvalues --    2.10931   2.11521   2.12172   2.12928   2.13157
 Alpha virt. eigenvalues --    2.13568   2.14623   2.15442   2.16029   2.16661
 Alpha virt. eigenvalues --    2.16761   2.17484   2.18476   2.18692   2.18947
 Alpha virt. eigenvalues --    2.20155   2.21275   2.21904   2.22163   2.22801
 Alpha virt. eigenvalues --    2.23766   2.24233   2.25343   2.26135   2.26867
 Alpha virt. eigenvalues --    2.27767   2.28328   2.28968   2.29774   2.30735
 Alpha virt. eigenvalues --    2.30817   2.31711   2.32140   2.32858   2.33974
 Alpha virt. eigenvalues --    2.35029   2.35715   2.36317   2.37091   2.37284
 Alpha virt. eigenvalues --    2.38661   2.38842   2.40067   2.41072   2.41463
 Alpha virt. eigenvalues --    2.42595   2.43479   2.44963   2.45322   2.46172
 Alpha virt. eigenvalues --    2.46842   2.47286   2.47881   2.48856   2.49912
 Alpha virt. eigenvalues --    2.50807   2.51484   2.53356   2.53757   2.54373
 Alpha virt. eigenvalues --    2.55221   2.57293   2.57834   2.57948   2.58681
 Alpha virt. eigenvalues --    2.59701   2.60382   2.62200   2.62743   2.64484
 Alpha virt. eigenvalues --    2.65485   2.67293   2.67498   2.67670   2.69570
 Alpha virt. eigenvalues --    2.70393   2.71049   2.72861   2.73866   2.74480
 Alpha virt. eigenvalues --    2.74896   2.76105   2.76425   2.77516   2.77531
 Alpha virt. eigenvalues --    2.79914   2.82893   2.83665   2.85288   2.86091
 Alpha virt. eigenvalues --    2.87346   2.89566   2.90197   2.90663   2.91230
 Alpha virt. eigenvalues --    2.92212   2.95307   2.96247   2.97125   2.98555
 Alpha virt. eigenvalues --    2.99104   3.00507   3.01797   3.07435   3.08696
 Alpha virt. eigenvalues --    3.24807   3.27842   3.38349   3.49764   3.53971
 Alpha virt. eigenvalues --    3.59051   3.61423   3.71596   3.89745   3.96709
 Alpha virt. eigenvalues --    4.03118   4.08540   4.26567   4.36343   4.59480
 Alpha virt. eigenvalues --    4.61467   4.83398   5.02030   5.30959   7.14739
 Alpha virt. eigenvalues --   31.40904
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   22.663828  -7.192304  -4.550434  -1.207910   0.119723   0.081032
     2  C   -7.192304  48.459718  -6.104818  -2.840215  -0.425956  -1.379881
     3  C   -4.550434  -6.104818  42.010754  -0.533892  -0.386575  -0.862058
     4  C   -1.207910  -2.840215  -0.533892  18.300565  -0.339225   0.363073
     5  C    0.119723  -0.425956  -0.386575  -0.339225   7.423597   0.381995
     6  C    0.081032  -1.379881  -0.862058   0.363073   0.381995   8.103011
     7  C    1.200427  -1.341846 -16.674824  -4.490992  -0.859823   0.175203
     8  C   -1.889958  -6.358243   1.698384  -1.744717   0.081635  -0.643029
     9  C   -1.894515 -13.775398  -8.593630  -0.409612   0.040736  -0.000955
    10  C   -0.129163  -2.527777  -1.708001   0.054356  -0.062074   0.239442
    11  C   -0.108621  -2.406717   0.483497  -0.038817   0.061563  -0.364359
    12  C    0.685558  -1.107025  -0.276148   0.074544  -0.121482   0.149543
    13  C    0.146557  -0.166583   0.185682  -0.182755   0.074137  -0.000667
    14  C    0.202248   0.454749  -0.256038   0.193347  -0.091541   0.005187
    15  C   -0.022246  -0.966792   0.333703  -0.225402   0.109147  -0.048150
    16  C   -0.251596   1.179454  -0.089033   0.040075   0.019918  -0.081968
    17  C    0.046008   0.347117   0.164968  -0.020650   0.034217  -0.014432
    18  C    0.037904   0.175582  -0.094411  -0.007151  -0.000797   0.001641
    19  C    0.005968   0.010749   0.009584   0.002722   0.000593  -0.000031
    20  C   -0.002233   0.007457   0.081596   0.026240  -0.008614   0.000542
    21  Zr  -1.185045  -0.331725  -0.410719  -1.305099  -0.563419  -0.118735
    22  Cl  -0.051189  -0.020392   0.094105   0.002747  -0.015837   0.022496
    23  Cl  -0.007507   0.046827  -0.040231   0.042182  -0.003202   0.002235
    24  H   -0.028620  -0.128222   0.173153   0.058328   0.003394  -0.001220
    25  H   -0.038324   0.014176   1.481892  -0.469444   0.050279  -0.007056
    26  H    0.347867  -0.046908  -0.442015  -0.244719   0.050442  -0.416082
    27  H   -2.165519   0.977304   0.705557   0.169943  -0.038235   0.302433
    28  H   -0.662341   1.261657  -0.159878   0.290952   0.041109  -0.643208
    29  H    0.827455  -0.714251   0.026644  -0.275051   0.000354  -0.637904
    30  H   -0.180923  -0.114285  -0.370210   0.555869  -0.424241  -0.080098
    31  H    0.222392  -0.030170   0.289461   0.123226  -0.698857   0.054285
    32  H   -0.178329   0.642732   0.225981  -1.068756  -0.068879  -0.045738
    33  H    0.054578  -0.304479   0.611833  -0.402752   0.352346   0.020916
    34  H   -0.288768   1.245072   0.550348   0.033258   0.000506  -0.011056
    35  H    0.011074  -0.560460  -0.501349  -0.021650  -0.014509   0.012366
    36  H    0.035673   0.125877  -0.166912  -0.030768   0.025452   0.049617
    37  H   -0.005914   0.163174   0.053905   0.004582  -0.003294  -0.014503
    38  H   -0.120780  -0.006840  -0.014434   0.006778  -0.000523   0.033085
    39  H   -0.003074   0.019772  -0.005884  -0.025668   0.001974   0.003398
    40  H   -0.005162   0.083958   0.042121   0.003001   0.000705   0.000763
    41  H   -0.006775   0.033383   0.008508   0.000128   0.007171  -0.006274
    42  H    0.000224  -0.006614  -0.005731  -0.000554  -0.000222  -0.000091
    43  H    0.007542   0.019160   0.017439   0.008343   0.001062   0.000587
    44  H    0.000434   0.005525   0.001785   0.000450   0.000036   0.000088
    45  H   -0.000283  -0.009941   0.001383   0.000409   0.000069  -0.000180
    46  H    0.008550   0.006010   0.016160   0.012560  -0.000142   0.001718
    47  H    0.000437  -0.002797   0.006364   0.002558  -0.000438   0.000493
               7          8          9         10         11         12
     1  C    1.200427  -1.889958  -1.894515  -0.129163  -0.108621   0.685558
     2  C   -1.341846  -6.358243 -13.775398  -2.527777  -2.406717  -1.107025
     3  C  -16.674824   1.698384  -8.593630  -1.708001   0.483497  -0.276148
     4  C   -4.490992  -1.744717  -0.409612   0.054356  -0.038817   0.074544
     5  C   -0.859823   0.081635   0.040736  -0.062074   0.061563  -0.121482
     6  C    0.175203  -0.643029  -0.000955   0.239442  -0.364359   0.149543
     7  C   41.298052 -12.898197   3.567800  -1.308014  -0.001118  -0.145829
     8  C  -12.898197  39.726505 -14.289295   1.288275  -0.595872   0.498810
     9  C    3.567800 -14.289295  44.429906  -3.495613   2.962909  -1.993893
    10  C   -1.308014   1.288275  -3.495613  18.040084  -2.403606   3.610935
    11  C   -0.001118  -0.595872   2.962909  -2.403606  17.458391  -4.157039
    12  C   -0.145829   0.498810  -1.993893   3.610935  -4.157039  54.874869
    13  C   -0.520726   1.667696  -1.684436  -1.287232  -3.417717 -16.893798
    14  C    0.546547  -0.889593   0.083695   0.002367  -0.661697  -9.275285
    15  C   -1.381486   1.339686   0.261777   0.050386  -1.737033   3.171509
    16  C    1.329103  -1.726547   0.992483  -1.535725   3.257100 -13.752031
    17  C   -0.278413   0.104154   0.399986  -0.480393   0.195107  -7.281135
    18  C    0.064318   0.154542  -0.238600   0.061380  -0.257888  -0.884044
    19  C    0.012834  -0.020428  -0.007171   0.006675  -0.085820   0.082169
    20  C   -0.170071   0.227281  -0.221846   0.040632  -0.154064  -0.004169
    21  Zr   0.060493   2.634234  -1.839151  -1.727903  -0.845295  -2.650367
    22  Cl  -0.133346   0.057460  -0.002311   0.008787   0.015990  -0.035551
    23  Cl  -0.112302   0.191461  -0.153573   0.029236  -0.023920   0.029442
    24  H    0.885765  -4.030638   1.721473  -0.075977  -0.082993   0.219750
    25  H   -3.512494   0.998368   0.132436   0.157981   0.017165  -0.050986
    26  H    0.214121  -0.294476   0.259032   0.174673  -0.396765   0.782706
    27  H   -0.194377   0.122683  -0.318799  -0.306544   0.147264  -0.416993
    28  H   -0.041844   0.003120  -0.128242   0.036848   0.007467  -0.036992
    29  H    0.122735  -0.090775   0.236150  -0.048302   0.002386   0.013469
    30  H   -0.059597  -0.060255   0.132064   0.020282  -0.006104   0.015852
    31  H    0.049239   0.035398  -0.033363  -0.006049   0.001459   0.003146
    32  H    0.092919  -0.169354   0.277114   0.029596  -0.011509   0.003995
    33  H   -0.019106  -0.173505  -0.113798  -0.035120   0.021166  -0.005145
    34  H   -0.336670  -0.044361  -0.120079  -1.569823  -0.566756   0.276412
    35  H    0.260655   0.669102  -0.805032  -0.172935   0.508570  -0.371454
    36  H   -0.069948   0.200252  -0.474824   0.686648  -0.884349   0.047375
    37  H    0.026594  -0.124663   0.376556  -0.613592  -1.148211  -0.823899
    38  H    0.080081   0.006357   0.257008  -0.123064  -0.355241   1.473080
    39  H   -0.054172   0.045566  -0.069117   0.046762   0.065687   0.182691
    40  H   -0.047121  -0.074303   0.086141  -0.002669  -0.293071  -0.034244
    41  H    0.155993   0.044661   0.049407  -0.359886   0.146570   0.195341
    42  H   -0.002749   0.036248  -0.066451   0.034772   0.026221  -0.107455
    43  H    0.025396  -0.144391   0.125969  -0.053377  -0.006981   0.066590
    44  H   -0.002051  -0.000070   0.000524  -0.004241  -0.006020   0.053929
    45  H    0.005468  -0.010985   0.005721   0.002989  -0.005840   0.036051
    46  H   -0.030683   0.005095  -0.027266   0.021752  -0.041623  -0.113698
    47  H   -0.014578   0.014448  -0.005952   0.001963   0.015999   0.093882
              13         14         15         16         17         18
     1  C    0.146557   0.202248  -0.022246  -0.251596   0.046008   0.037904
     2  C   -0.166583   0.454749  -0.966792   1.179454   0.347117   0.175582
     3  C    0.185682  -0.256038   0.333703  -0.089033   0.164968  -0.094411
     4  C   -0.182755   0.193347  -0.225402   0.040075  -0.020650  -0.007151
     5  C    0.074137  -0.091541   0.109147   0.019918   0.034217  -0.000797
     6  C   -0.000667   0.005187  -0.048150  -0.081968  -0.014432   0.001641
     7  C   -0.520726   0.546547  -1.381486   1.329103  -0.278413   0.064318
     8  C    1.667696  -0.889593   1.339686  -1.726547   0.104154   0.154542
     9  C   -1.684436   0.083695   0.261777   0.992483   0.399986  -0.238600
    10  C   -1.287232   0.002367   0.050386  -1.535725  -0.480393   0.061380
    11  C   -3.417717  -0.661697  -1.737033   3.257100   0.195107  -0.257888
    12  C  -16.893798  -9.275285   3.171509 -13.752031  -7.281135  -0.884044
    13  C   54.943505  -8.048879  -0.123523 -11.050886  -5.296982  -1.260578
    14  C   -8.048879  45.234508 -19.849048   3.571468  -2.965564  -0.215904
    15  C   -0.123523 -19.849048  44.669764 -14.963544   2.581755  -0.539963
    16  C  -11.050886   3.571468 -14.963544  43.402106  -3.384989  -0.133146
    17  C   -5.296982  -2.965564   2.581755  -3.384989  23.987711   0.173569
    18  C   -1.260578  -0.215904  -0.539963  -0.133146   0.173569   8.290002
    19  C   -0.295700  -1.512451  -0.318475  -0.739853  -0.160205   0.541823
    20  C   -2.287698  -1.442678  -4.653698  -1.637932  -1.015299   0.381936
    21  Zr  -0.060107  -1.327945   0.993440   3.914396  -0.964174  -0.748252
    22  Cl   0.054586  -0.045398  -0.137271   0.092797  -0.014892   0.004585
    23  Cl  -0.242449   0.275303  -0.167858   0.006769  -0.016884   0.044194
    24  H    0.037568  -0.064862   0.081312   0.030613  -0.138814  -0.008854
    25  H    0.001602  -0.003021  -0.049910   0.050740  -0.010447  -0.005538
    26  H   -0.015482   0.223821   0.028757  -0.597995  -0.008528   0.013176
    27  H    0.096744   0.010777  -0.015184   0.127452  -0.002751   0.003678
    28  H   -0.016877  -0.003518   0.005832   0.009920  -0.002394  -0.000116
    29  H    0.000022   0.006194  -0.007085  -0.001355  -0.001406  -0.000004
    30  H   -0.017122  -0.009169   0.024614  -0.055666   0.002654   0.000082
    31  H    0.009382   0.000569   0.002784  -0.002183   0.001483   0.000005
    32  H   -0.017408   0.010578  -0.010101   0.002936  -0.002856  -0.000131
    33  H    0.007888   0.025643  -0.038187  -0.007006   0.009577  -0.001767
    34  H    0.113625   0.081673  -0.006814  -0.073524  -0.015707  -0.009282
    35  H    0.385417  -0.176539  -0.001863   0.030002  -0.213059   0.001598
    36  H   -0.747177  -0.452972   0.362495   0.369198  -0.043494  -0.057720
    37  H    1.246711   0.550338  -0.457439   0.218419  -0.236169   0.074352
    38  H    0.557700  -0.192924   1.021471  -3.989987   0.098959  -0.003016
    39  H   -0.512528   2.341683  -4.336704   1.172098  -0.091931   0.019198
    40  H   -0.793971   0.626083  -0.020933   0.102291  -0.003325  -0.068556
    41  H    1.384220  -0.499477   0.070104  -0.171868  -1.394821   0.401434
    42  H    1.276870   0.017901  -0.088052   0.040032  -0.290266  -1.004862
    43  H   -1.089980  -0.134941   0.031017  -0.102796   0.786730  -0.380433
    44  H   -0.235854   0.648770   0.075774  -0.013699   0.250042   0.267595
    45  H   -0.001015  -0.281217  -0.051610  -0.108615  -0.081579  -0.192655
    46  H   -0.408794  -0.209327  -0.154187  -0.183832  -0.220591  -0.020579
    47  H    0.745701   0.717341   0.181003  -0.102169   0.037896  -0.013453
              19         20         21         22         23         24
     1  C    0.005968  -0.002233  -1.185045  -0.051189  -0.007507  -0.028620
     2  C    0.010749   0.007457  -0.331725  -0.020392   0.046827  -0.128222
     3  C    0.009584   0.081596  -0.410719   0.094105  -0.040231   0.173153
     4  C    0.002722   0.026240  -1.305099   0.002747   0.042182   0.058328
     5  C    0.000593  -0.008614  -0.563419  -0.015837  -0.003202   0.003394
     6  C   -0.000031   0.000542  -0.118735   0.022496   0.002235  -0.001220
     7  C    0.012834  -0.170071   0.060493  -0.133346  -0.112302   0.885765
     8  C   -0.020428   0.227281   2.634234   0.057460   0.191461  -4.030638
     9  C   -0.007171  -0.221846  -1.839151  -0.002311  -0.153573   1.721473
    10  C    0.006675   0.040632  -1.727903   0.008787   0.029236  -0.075977
    11  C   -0.085820  -0.154064  -0.845295   0.015990  -0.023920  -0.082993
    12  C    0.082169  -0.004169  -2.650367  -0.035551   0.029442   0.219750
    13  C   -0.295700  -2.287698  -0.060107   0.054586  -0.242449   0.037568
    14  C   -1.512451  -1.442678  -1.327945  -0.045398   0.275303  -0.064862
    15  C   -0.318475  -4.653698   0.993440  -0.137271  -0.167858   0.081312
    16  C   -0.739853  -1.637932   3.914396   0.092797   0.006769   0.030613
    17  C   -0.160205  -1.015299  -0.964174  -0.014892  -0.016884  -0.138814
    18  C    0.541823   0.381936  -0.748252   0.004585   0.044194  -0.008854
    19  C    7.697492   0.905616  -0.579987   0.006116   0.079741  -0.007133
    20  C    0.905616  16.907537  -1.535191  -0.002712   0.051419  -0.032852
    21  Zr  -0.579987  -1.535191  20.550903   0.131005  -0.010287  -0.225013
    22  Cl   0.006116  -0.002712   0.131005  17.478787  -0.108955   0.006401
    23  Cl   0.079741   0.051419  -0.010287  -0.108955  17.499186  -0.021509
    24  H   -0.007133  -0.032852  -0.225013   0.006401  -0.021509   3.942125
    25  H   -0.002777  -0.025216  -0.069236   0.008336   0.002098  -0.013860
    26  H    0.006583   0.058317  -0.521675   0.008502   0.002299  -0.007795
    27  H    0.001453   0.002944   0.281448  -0.005828   0.000758   0.014956
    28  H   -0.000151  -0.001045   0.006720  -0.004103   0.000144   0.002703
    29  H    0.000037   0.000927   0.008007   0.001661   0.000579   0.000741
    30  H    0.000008  -0.001852   0.077216  -0.015487  -0.000532   0.004910
    31  H    0.000126   0.000453  -0.027809   0.012477   0.000023  -0.001083
    32  H    0.000484   0.000661   0.100670  -0.017024  -0.001729   0.015565
    33  H    0.001036   0.002175  -0.232725  -0.012646   0.003239  -0.007090
    34  H   -0.004446   0.004056   0.220177   0.001188  -0.000859   0.060915
    35  H    0.019850  -0.009586   0.065523   0.000419   0.004925  -0.161094
    36  H   -0.011301  -0.038854   0.178252   0.004071  -0.002734  -0.013064
    37  H   -0.006380   0.043639   0.153073  -0.001354   0.001168   0.003535
    38  H   -0.016642  -0.080477  -0.323424  -0.021694   0.006919   0.008285
    39  H    0.020848  -0.005668  -0.139538   0.031416   0.002403  -0.002520
    40  H   -0.081182  -0.102998   0.278959  -0.000617  -0.004108   0.013032
    41  H   -0.023341   0.088975  -0.458266  -0.001588   0.009891  -0.050329
    42  H    0.022416   0.105750   0.082674   0.000456  -0.008541   0.003851
    43  H    0.012544   0.031760  -0.088938  -0.002824   0.029683  -0.002812
    44  H   -0.919436  -0.135888  -0.085698  -0.000310  -0.001304  -0.000508
    45  H   -0.306051   0.378969   0.062478   0.000620   0.005427  -0.005708
    46  H    0.272351   0.983089  -0.328655   0.000668   0.015269  -0.012421
    47  H    0.034111  -2.063830   0.129669  -0.000653  -0.014999   0.003189
              25         26         27         28         29         30
     1  C   -0.038324   0.347867  -2.165519  -0.662341   0.827455  -0.180923
     2  C    0.014176  -0.046908   0.977304   1.261657  -0.714251  -0.114285
     3  C    1.481892  -0.442015   0.705557  -0.159878   0.026644  -0.370210
     4  C   -0.469444  -0.244719   0.169943   0.290952  -0.275051   0.555869
     5  C    0.050279   0.050442  -0.038235   0.041109   0.000354  -0.424241
     6  C   -0.007056  -0.416082   0.302433  -0.643208  -0.637904  -0.080098
     7  C   -3.512494   0.214121  -0.194377  -0.041844   0.122735  -0.059597
     8  C    0.998368  -0.294476   0.122683   0.003120  -0.090775  -0.060255
     9  C    0.132436   0.259032  -0.318799  -0.128242   0.236150   0.132064
    10  C    0.157981   0.174673  -0.306544   0.036848  -0.048302   0.020282
    11  C    0.017165  -0.396765   0.147264   0.007467   0.002386  -0.006104
    12  C   -0.050986   0.782706  -0.416993  -0.036992   0.013469   0.015852
    13  C    0.001602  -0.015482   0.096744  -0.016877   0.000022  -0.017122
    14  C   -0.003021   0.223821   0.010777  -0.003518   0.006194  -0.009169
    15  C   -0.049910   0.028757  -0.015184   0.005832  -0.007085   0.024614
    16  C    0.050740  -0.597995   0.127452   0.009920  -0.001355  -0.055666
    17  C   -0.010447  -0.008528  -0.002751  -0.002394  -0.001406   0.002654
    18  C   -0.005538   0.013176   0.003678  -0.000116  -0.000004   0.000082
    19  C   -0.002777   0.006583   0.001453  -0.000151   0.000037   0.000008
    20  C   -0.025216   0.058317   0.002944  -0.001045   0.000927  -0.001852
    21  Zr  -0.069236  -0.521675   0.281448   0.006720   0.008007   0.077216
    22  Cl   0.008336   0.008502  -0.005828  -0.004103   0.001661  -0.015487
    23  Cl   0.002098   0.002299   0.000758   0.000144   0.000579  -0.000532
    24  H   -0.013860  -0.007795   0.014956   0.002703   0.000741   0.004910
    25  H    3.439689   0.005894  -0.017455  -0.001927   0.008384   0.003477
    26  H    0.005894   3.372972  -0.878468  -0.369486   0.294832   0.020183
    27  H   -0.017455  -0.878468   3.070315   0.050108  -0.280376  -0.009147
    28  H   -0.001927  -0.369486   0.050108   2.585461  -0.639380  -0.072563
    29  H    0.008384   0.294832  -0.280376  -0.639380   2.670543   0.159072
    30  H    0.003477   0.020183  -0.009147  -0.072563   0.159072   2.724869
    31  H    0.002617   0.032381   0.027524  -0.132985  -0.118211  -0.640174
    32  H    0.040452  -0.035574   0.024097   0.031972  -0.018934   0.194968
    33  H   -0.040512   0.024955  -0.013420   0.021779   0.005121  -0.306655
    34  H   -0.009572   0.017332   0.034917   0.000604   0.001155   0.001442
    35  H    0.015342  -0.019011   0.000688   0.001207  -0.004749   0.000727
    36  H    0.006950  -0.070600  -0.075887  -0.004436   0.011888   0.004003
    37  H   -0.000790   0.004222   0.040061   0.000737  -0.001866  -0.001530
    38  H   -0.005163  -0.029586   0.042266   0.006167  -0.010313  -0.001321
    39  H    0.008857   0.012909  -0.003973  -0.001195   0.000865  -0.001460
    40  H   -0.002282  -0.004222  -0.000056   0.000006   0.000044   0.000614
    41  H    0.004998   0.007188  -0.000400  -0.000663  -0.000243  -0.002150
    42  H   -0.002284   0.000129   0.000094   0.000005  -0.000030  -0.000013
    43  H    0.002006   0.001423   0.001103   0.000036  -0.000010   0.000514
    44  H   -0.000041   0.000264   0.000048  -0.000005   0.000005   0.000064
    45  H    0.000311   0.001099   0.000161  -0.000033  -0.000002  -0.000121
    46  H   -0.005806   0.012122   0.000785  -0.000190   0.000371   0.000389
    47  H   -0.000367  -0.002016   0.000093   0.000016   0.000025   0.000125
              31         32         33         34         35         36
     1  C    0.222392  -0.178329   0.054578  -0.288768   0.011074   0.035673
     2  C   -0.030170   0.642732  -0.304479   1.245072  -0.560460   0.125877
     3  C    0.289461   0.225981   0.611833   0.550348  -0.501349  -0.166912
     4  C    0.123226  -1.068756  -0.402752   0.033258  -0.021650  -0.030768
     5  C   -0.698857  -0.068879   0.352346   0.000506  -0.014509   0.025452
     6  C    0.054285  -0.045738   0.020916  -0.011056   0.012366   0.049617
     7  C    0.049239   0.092919  -0.019106  -0.336670   0.260655  -0.069948
     8  C    0.035398  -0.169354  -0.173505  -0.044361   0.669102   0.200252
     9  C   -0.033363   0.277114  -0.113798  -0.120079  -0.805032  -0.474824
    10  C   -0.006049   0.029596  -0.035120  -1.569823  -0.172935   0.686648
    11  C    0.001459  -0.011509   0.021166  -0.566756   0.508570  -0.884349
    12  C    0.003146   0.003995  -0.005145   0.276412  -0.371454   0.047375
    13  C    0.009382  -0.017408   0.007888   0.113625   0.385417  -0.747177
    14  C    0.000569   0.010578   0.025643   0.081673  -0.176539  -0.452972
    15  C    0.002784  -0.010101  -0.038187  -0.006814  -0.001863   0.362495
    16  C   -0.002183   0.002936  -0.007006  -0.073524   0.030002   0.369198
    17  C    0.001483  -0.002856   0.009577  -0.015707  -0.213059  -0.043494
    18  C    0.000005  -0.000131  -0.001767  -0.009282   0.001598  -0.057720
    19  C    0.000126   0.000484   0.001036  -0.004446   0.019850  -0.011301
    20  C    0.000453   0.000661   0.002175   0.004056  -0.009586  -0.038854
    21  Zr  -0.027809   0.100670  -0.232725   0.220177   0.065523   0.178252
    22  Cl   0.012477  -0.017024  -0.012646   0.001188   0.000419   0.004071
    23  Cl   0.000023  -0.001729   0.003239  -0.000859   0.004925  -0.002734
    24  H   -0.001083   0.015565  -0.007090   0.060915  -0.161094  -0.013064
    25  H    0.002617   0.040452  -0.040512  -0.009572   0.015342   0.006950
    26  H    0.032381  -0.035574   0.024955   0.017332  -0.019011  -0.070600
    27  H    0.027524   0.024097  -0.013420   0.034917   0.000688  -0.075887
    28  H   -0.132985   0.031972   0.021779   0.000604   0.001207  -0.004436
    29  H   -0.118211  -0.018934   0.005121   0.001155  -0.004749   0.011888
    30  H   -0.640174   0.194968  -0.306655   0.001442   0.000727   0.004003
    31  H    2.479183  -0.242659   0.018597  -0.000782  -0.001217  -0.003781
    32  H   -0.242659   2.359607  -0.820443   0.003141   0.000837  -0.002838
    33  H    0.018597  -0.820443   2.667760   0.000486  -0.005069   0.000301
    34  H   -0.000782   0.003141   0.000486   2.739378  -0.802150  -0.163997
    35  H   -0.001217   0.000837  -0.005069  -0.802150   3.439706   0.261417
    36  H   -0.003781  -0.002838   0.000301  -0.163997   0.261417   3.592568
    37  H    0.000396  -0.000179   0.001120   0.085981  -0.193200  -0.844936
    38  H    0.000452   0.002222  -0.007411   0.008162  -0.017186  -0.195870
    39  H    0.000152  -0.000371  -0.002508  -0.000045   0.007890   0.017994
    40  H    0.000022   0.000108   0.000615   0.015725  -0.036112   0.008531
    41  H    0.000710  -0.003620   0.005830   0.010597   0.004554  -0.024022
    42  H   -0.000014   0.000048  -0.000129   0.002544   0.001431  -0.001476
    43  H    0.000090   0.000456   0.001332  -0.004834   0.002289  -0.004128
    44  H    0.000015   0.000052   0.000126  -0.000080  -0.005122  -0.000982
    45  H    0.000014  -0.000009   0.000230  -0.000639   0.006006  -0.001447
    46  H    0.000198   0.000288   0.000354   0.001333  -0.001385  -0.005346
    47  H    0.000032   0.000133   0.000640   0.000324  -0.000150  -0.001732
              37         38         39         40         41         42
     1  C   -0.005914  -0.120780  -0.003074  -0.005162  -0.006775   0.000224
     2  C    0.163174  -0.006840   0.019772   0.083958   0.033383  -0.006614
     3  C    0.053905  -0.014434  -0.005884   0.042121   0.008508  -0.005731
     4  C    0.004582   0.006778  -0.025668   0.003001   0.000128  -0.000554
     5  C   -0.003294  -0.000523   0.001974   0.000705   0.007171  -0.000222
     6  C   -0.014503   0.033085   0.003398   0.000763  -0.006274  -0.000091
     7  C    0.026594   0.080081  -0.054172  -0.047121   0.155993  -0.002749
     8  C   -0.124663   0.006357   0.045566  -0.074303   0.044661   0.036248
     9  C    0.376556   0.257008  -0.069117   0.086141   0.049407  -0.066451
    10  C   -0.613592  -0.123064   0.046762  -0.002669  -0.359886   0.034772
    11  C   -1.148211  -0.355241   0.065687  -0.293071   0.146570   0.026221
    12  C   -0.823899   1.473080   0.182691  -0.034244   0.195341  -0.107455
    13  C    1.246711   0.557700  -0.512528  -0.793971   1.384220   1.276870
    14  C    0.550338  -0.192924   2.341683   0.626083  -0.499477   0.017901
    15  C   -0.457439   1.021471  -4.336704  -0.020933   0.070104  -0.088052
    16  C    0.218419  -3.989987   1.172098   0.102291  -0.171868   0.040032
    17  C   -0.236169   0.098959  -0.091931  -0.003325  -1.394821  -0.290266
    18  C    0.074352  -0.003016   0.019198  -0.068556   0.401434  -1.004862
    19  C   -0.006380  -0.016642   0.020848  -0.081182  -0.023341   0.022416
    20  C    0.043639  -0.080477  -0.005668  -0.102998   0.088975   0.105750
    21  Zr   0.153073  -0.323424  -0.139538   0.278959  -0.458266   0.082674
    22  Cl  -0.001354  -0.021694   0.031416  -0.000617  -0.001588   0.000456
    23  Cl   0.001168   0.006919   0.002403  -0.004108   0.009891  -0.008541
    24  H    0.003535   0.008285  -0.002520   0.013032  -0.050329   0.003851
    25  H   -0.000790  -0.005163   0.008857  -0.002282   0.004998  -0.002284
    26  H    0.004222  -0.029586   0.012909  -0.004222   0.007188   0.000129
    27  H    0.040061   0.042266  -0.003973  -0.000056  -0.000400   0.000094
    28  H    0.000737   0.006167  -0.001195   0.000006  -0.000663   0.000005
    29  H   -0.001866  -0.010313   0.000865   0.000044  -0.000243  -0.000030
    30  H   -0.001530  -0.001321  -0.001460   0.000614  -0.002150  -0.000013
    31  H    0.000396   0.000452   0.000152   0.000022   0.000710  -0.000014
    32  H   -0.000179   0.002222  -0.000371   0.000108  -0.003620   0.000048
    33  H    0.001120  -0.007411  -0.002508   0.000615   0.005830  -0.000129
    34  H    0.085981   0.008162  -0.000045   0.015725   0.010597   0.002544
    35  H   -0.193200  -0.017186   0.007890  -0.036112   0.004554   0.001431
    36  H   -0.844936  -0.195870   0.017994   0.008531  -0.024022  -0.001476
    37  H    2.864467   0.067334  -0.016989  -0.032157   0.030135   0.011457
    38  H    0.067334   4.033875  -0.032725   0.023148  -0.010974   0.002935
    39  H   -0.016989  -0.032725   3.441516  -0.011260  -0.001764  -0.002407
    40  H   -0.032157   0.023148  -0.011260   2.619136  -0.882544  -0.248647
    41  H    0.030135  -0.010974  -0.001764  -0.882544   3.030544  -0.082061
    42  H    0.011457   0.002935  -0.002407  -0.248647  -0.082061   2.693421
    43  H    0.001002  -0.000013  -0.002562   0.218238  -0.244632  -0.729753
    44  H   -0.001266  -0.000281  -0.000109   0.029728   0.040834  -0.131698
    45  H    0.003939  -0.001184   0.008951  -0.014222   0.016803  -0.132370
    46  H    0.005346  -0.016898  -0.019895  -0.035897   0.022850   0.002785
    47  H    0.001222   0.022443   0.019382   0.029973  -0.024906   0.021254
              43         44         45         46         47
     1  C    0.007542   0.000434  -0.000283   0.008550   0.000437
     2  C    0.019160   0.005525  -0.009941   0.006010  -0.002797
     3  C    0.017439   0.001785   0.001383   0.016160   0.006364
     4  C    0.008343   0.000450   0.000409   0.012560   0.002558
     5  C    0.001062   0.000036   0.000069  -0.000142  -0.000438
     6  C    0.000587   0.000088  -0.000180   0.001718   0.000493
     7  C    0.025396  -0.002051   0.005468  -0.030683  -0.014578
     8  C   -0.144391  -0.000070  -0.010985   0.005095   0.014448
     9  C    0.125969   0.000524   0.005721  -0.027266  -0.005952
    10  C   -0.053377  -0.004241   0.002989   0.021752   0.001963
    11  C   -0.006981  -0.006020  -0.005840  -0.041623   0.015999
    12  C    0.066590   0.053929   0.036051  -0.113698   0.093882
    13  C   -1.089980  -0.235854  -0.001015  -0.408794   0.745701
    14  C   -0.134941   0.648770  -0.281217  -0.209327   0.717341
    15  C    0.031017   0.075774  -0.051610  -0.154187   0.181003
    16  C   -0.102796  -0.013699  -0.108615  -0.183832  -0.102169
    17  C    0.786730   0.250042  -0.081579  -0.220591   0.037896
    18  C   -0.380433   0.267595  -0.192655  -0.020579  -0.013453
    19  C    0.012544  -0.919436  -0.306051   0.272351   0.034111
    20  C    0.031760  -0.135888   0.378969   0.983089  -2.063830
    21  Zr  -0.088938  -0.085698   0.062478  -0.328655   0.129669
    22  Cl  -0.002824  -0.000310   0.000620   0.000668  -0.000653
    23  Cl   0.029683  -0.001304   0.005427   0.015269  -0.014999
    24  H   -0.002812  -0.000508  -0.005708  -0.012421   0.003189
    25  H    0.002006  -0.000041   0.000311  -0.005806  -0.000367
    26  H    0.001423   0.000264   0.001099   0.012122  -0.002016
    27  H    0.001103   0.000048   0.000161   0.000785   0.000093
    28  H    0.000036  -0.000005  -0.000033  -0.000190   0.000016
    29  H   -0.000010   0.000005  -0.000002   0.000371   0.000025
    30  H    0.000514   0.000064  -0.000121   0.000389   0.000125
    31  H    0.000090   0.000015   0.000014   0.000198   0.000032
    32  H    0.000456   0.000052  -0.000009   0.000288   0.000133
    33  H    0.001332   0.000126   0.000230   0.000354   0.000640
    34  H   -0.004834  -0.000080  -0.000639   0.001333   0.000324
    35  H    0.002289  -0.005122   0.006006  -0.001385  -0.000150
    36  H   -0.004128  -0.000982  -0.001447  -0.005346  -0.001732
    37  H    0.001002  -0.001266   0.003939   0.005346   0.001222
    38  H   -0.000013  -0.000281  -0.001184  -0.016898   0.022443
    39  H   -0.002562  -0.000109   0.008951  -0.019895   0.019382
    40  H    0.218238   0.029728  -0.014222  -0.035897   0.029973
    41  H   -0.244632   0.040834   0.016803   0.022850  -0.024906
    42  H   -0.729753  -0.131698  -0.132370   0.002785   0.021254
    43  H    3.008767  -0.062278   0.173763   0.058531  -0.007434
    44  H   -0.062278   2.472976  -0.569385  -0.257052   0.027045
    45  H    0.173763  -0.569385   2.668165   0.215224  -0.253106
    46  H    0.058531  -0.257052   0.215224   2.611551  -0.836834
    47  H   -0.007434   0.027045  -0.253106  -0.836834   2.673348
 Mulliken charges:
               1
     1  C    1.472054
     2  C   -0.408815
     3  C   -1.027583
     4  C    1.515563
     5  C    1.245725
     6  C    1.372526
     7  C    0.528637
     8  C    0.422232
     9  C    0.364033
    10  C    1.390259
    11  C    1.670533
    12  C   -0.102985
    13  C   -0.258690
    14  C   -1.220799
    15  C    0.976231
    16  C    0.798573
    17  C    1.430219
    18  C    1.435103
    19  C    1.345033
    20  C    1.302499
    21  Zr   0.775040
    22  Cl  -0.393695
    23  Cl  -0.439338
    24  H   -1.166572
    25  H   -1.109542
    26  H   -0.576800
    27  H   -0.514239
    28  H   -0.441001
    29  H   -0.549418
    30  H   -0.513321
    31  H   -0.428955
    32  H   -0.345170
    33  H   -0.310173
    34  H   -0.480108
    35  H   -0.616715
    36  H   -0.592967
    37  H   -0.505133
    38  H   -1.180751
    39  H   -1.127946
    40  H   -0.383283
    41  H   -0.520223
    42  H   -0.471051
    43  H   -0.570253
    44  H   -0.442731
    45  H   -0.566054
    46  H   -0.344246
    47  H   -0.435699
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.381015
     2  C   -0.408815
     3  C   -1.027583
     4  C    0.860220
     5  C    0.303449
     6  C    0.382106
     7  C   -0.580905
     8  C   -0.744340
     9  C    0.364033
    10  C    0.293436
    11  C    0.572433
    12  C   -0.102985
    13  C   -0.258690
    14  C   -1.220799
    15  C   -0.151715
    16  C   -0.382178
    17  C    0.526713
    18  C    0.393799
    19  C    0.336247
    20  C    0.522553
    21  Zr   0.775040
    22  Cl  -0.393695
    23  Cl  -0.439338
 Electronic spatial extent (au):  <R**2>=           7216.1255
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2397    Y=              5.0806    Z=             -0.1910  Tot=              5.0898
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -161.6499   YY=           -175.0832   ZZ=           -171.8530
   XY=             -0.0848   XZ=              1.9162   YZ=              0.1350
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.8788   YY=             -5.5545   ZZ=             -2.3243
   XY=             -0.0848   XZ=              1.9162   YZ=              0.1350
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.3071  YYY=              6.4766  ZZZ=             -0.2642  XYY=             -1.7942
  XXY=             -8.9684  XXZ=             -0.2852  XZZ=              1.8584  YZZ=             -8.4991
  YYZ=              1.6197  XYZ=            -21.8831
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5953.5838 YYYY=          -2376.8894 ZZZZ=          -1637.4258 XXXY=             -6.8348
 XXXZ=            -21.3932 YYYX=              2.0195 YYYZ=             -5.0982 ZZZX=            -30.5276
 ZZZY=              4.6381 XXYY=          -1403.3633 XXZZ=          -1301.5917 YYZZ=           -683.4199
 XXYZ=             -1.3319 YYXZ=             16.9005 ZZXY=              0.7231
 N-N= 2.554040273114D+03 E-N=-9.189735079635D+03  KE= 1.706220428204D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 05:58:03 2021, MaxMem= 10737418240 cpu:              23.7 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 9.50660282D-02 1.97034318D+00-7.55367483D-02
 Polarizability= 3.19823662D+02-3.23465241D-01 2.57041464D+02
                -3.75546137D+00 4.33822230D-01 2.38012479D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.9168    1.9308       -0.2523   -0.2428
 2     -1.9169   -1.9308       -0.2066   -0.2121      -35.2659  -35.2277
 3      0.2522    0.2428       45.0788   45.0749        0.2138    0.2121
 4      0.2065    0.2121       -0.0000    0.0000        0.2261    0.2428
 5     -9.8129   -9.8473       -0.2261   -0.2428        1.9303    1.9308
 6     -0.2138   -0.2121       -1.9303   -1.9308        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -5.7924   -5.7924       -0.7283   -0.7283
 2      0.6362    0.6362        0.0000    0.0000       -0.7283   -0.7283
 3      0.6362    0.6362       -5.7924   -5.7924        0.0000    0.0000
 4     -5.7924   -5.7924       -0.6362   -0.6362     -105.6830 -105.6830
 5      0.7283    0.7283      135.2248  135.2248        0.6362    0.6362
 6    -29.5418  -29.5418       -0.7283   -0.7283        5.7924    5.7924
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1279    0.0000       -7.8202   -7.7232        1.1613    0.9710
 2      7.8841    7.7232        1.1042    0.8482      140.5779  140.9106
 3     -1.1532   -0.9710     -180.4736 -180.2997       -1.2697   -0.8482
 4     -0.6089   -0.8482       -0.1249    0.0000       -1.1300   -0.9710
 5     39.6423   39.3891        0.8457    0.9710       -7.1883   -7.7232
 6      0.8868    0.8482        7.8521    7.7232        0.1949    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.6282    0.0000       33.0312   32.8176        1.1142    1.5987
 2    -30.8503  -32.8176       -6.7720   -6.5548       24.4854   24.6147
 3     -3.1505   -1.5987       45.7271   45.2765        4.9148    6.5548
 4      6.2844    6.5548       -1.2322    0.0000       -0.4069   -1.5987
 5    -66.7596  -69.8912       -0.2358    1.5987       32.8865   32.8176
 6     -4.2274   -6.5548      -32.3776  -32.8176       -0.5804    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     12.4262   12.0323      -20.5765  -19.4332       -2.0401   -3.0555
 2     24.8023   24.7659        4.6110    5.4403       -2.2778   -3.0555
 3     25.3610   24.7659      -20.2328  -19.4332       -7.8047   -8.6430
 4    -24.5352  -24.8735      -13.0410  -12.7337       60.8528   60.9557
 5     -6.2297   -5.5875       35.7898   35.3535       12.4145   12.7337
 6    -97.2670  -96.3092        4.4251    5.5875       25.8856   24.8735
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.6994   -1.0378   -0.0020   -0.0015   -0.0006    6.1767
 Low frequencies ---   23.2735   76.3588   89.1063
 Diagonal vibrational polarizability:
       38.1015767      24.1925073      30.5330862
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.2438                76.3374                89.1042
 Red. masses --      5.5315                 4.1758                 5.6688
 Frc consts  --      0.0018                 0.0143                 0.0265
 IR Inten    --      0.4954                 0.1583                 0.9502
 RamAct Fr= 1--      0.0574                 1.3420                 1.6441
  Dep-P Fr= 1--      0.7484                 0.4637                 0.6938
  Dep-U Fr= 1--      0.8561                 0.6336                 0.8192
 Alpha2 Fr= 1--      0.0000                 0.0078                 0.0016
 Beta2  Fr= 1--      0.0082                 0.1417                 0.2245
 AlphaG Fr= 1--     -0.0000                -0.0026                -0.0039
 Gamma2 Fr= 1--      0.0656                 0.7769                -0.3772
 Delta2 Fr= 1--      0.0100                 0.0109                 0.1840
 Raman1 Fr= 1--       0.230                  5.368                  6.576
 ROA1   Fr= 1--       6.617                 74.935                -30.321
 CID1   Fr= 1--      28.794                 13.959                 -4.611
 Raman2 Fr= 1--       0.098                  1.701                  2.694
 ROA2   Fr= 1--       1.494                 18.559                -10.525
 CID2   Fr= 1--      15.187                 10.913                 -3.907
 Raman3 Fr= 1--       0.197                  3.401                  5.388
 ROA3   Fr= 1--       6.617                 74.935                -30.321
 CID3   Fr= 1--      33.635                 22.033                 -5.628
 RC180  Fr= 1--       0.712                  0.267                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.06  -0.02    -0.03   0.07   0.02     0.01  -0.13  -0.09
     2   6     0.01   0.01  -0.01    -0.01   0.00  -0.00     0.03  -0.05  -0.03
     3   6     0.05  -0.00  -0.06     0.04   0.00  -0.03     0.02  -0.03   0.01
     4   6     0.04   0.02  -0.14     0.07   0.06  -0.05     0.01  -0.06   0.03
     5   6    -0.05   0.04  -0.18     0.07   0.14  -0.03     0.05  -0.11   0.03
     6   6    -0.04   0.05  -0.13     0.00   0.14   0.02     0.02  -0.12  -0.05
     7   6     0.09  -0.05  -0.03     0.05  -0.04  -0.02     0.04   0.02   0.03
     8   6     0.08  -0.06   0.05     0.01  -0.07   0.00     0.06   0.03   0.01
     9   6     0.02  -0.02   0.05    -0.02  -0.04   0.01     0.05  -0.01  -0.02
    10   6    -0.02  -0.03   0.12    -0.03  -0.05   0.00     0.03  -0.01   0.00
    11   6    -0.02   0.02   0.11     0.03  -0.06  -0.02    -0.06  -0.00   0.03
    12   6     0.02   0.02   0.05     0.02  -0.06  -0.01    -0.05  -0.01   0.05
    13   6     0.01  -0.01  -0.01     0.01  -0.01   0.02    -0.05  -0.04   0.04
    14   6     0.05  -0.00  -0.05    -0.04  -0.01   0.05    -0.01  -0.04   0.03
    15   6     0.09   0.04  -0.02    -0.05  -0.07   0.05    -0.01  -0.01   0.03
    16   6     0.08   0.05   0.05    -0.02  -0.10   0.01    -0.04   0.01   0.04
    17   6    -0.04  -0.04  -0.03     0.03   0.08  -0.01    -0.09  -0.04   0.00
    18   6    -0.08  -0.05  -0.13    -0.09   0.19  -0.05    -0.19   0.01  -0.12
    19   6    -0.00  -0.03  -0.18    -0.08   0.20  -0.07    -0.08   0.00  -0.18
    20   6     0.05  -0.02  -0.11    -0.09   0.07   0.06    -0.01  -0.06   0.00
    21  40     0.01  -0.00   0.03     0.00  -0.06   0.01     0.00   0.01   0.04
    22  17    -0.07  -0.11   0.10     0.07  -0.00  -0.00     0.06   0.18  -0.13
    23  17    -0.06   0.11   0.08    -0.02  -0.05  -0.01     0.04   0.04   0.10
    24   1     0.10  -0.09   0.08     0.02  -0.10   0.02     0.08   0.06   0.03
    25   1     0.13  -0.07  -0.05     0.08  -0.06  -0.03     0.04   0.04   0.05
    26   1    -0.09   0.13  -0.01    -0.01   0.07   0.01     0.00  -0.23  -0.06
    27   1    -0.02   0.06   0.04    -0.09   0.07   0.04     0.01  -0.13  -0.19
    28   1    -0.09   0.07  -0.15    -0.00   0.19   0.04     0.02  -0.16  -0.07
    29   1     0.02   0.01  -0.14    -0.03   0.14   0.04     0.01  -0.06  -0.07
    30   1    -0.11   0.08  -0.15     0.09   0.14  -0.04     0.09  -0.16   0.03
    31   1    -0.05   0.03  -0.26     0.08   0.18  -0.03     0.06  -0.09   0.09
    32   1     0.09   0.02  -0.18     0.06   0.06  -0.04    -0.00  -0.07   0.04
    33   1     0.05   0.01  -0.13     0.12   0.06  -0.09    -0.02  -0.06   0.05
    34   1    -0.04  -0.01   0.15    -0.04  -0.04   0.03     0.02  -0.00  -0.03
    35   1    -0.03  -0.09   0.12    -0.06  -0.06  -0.03     0.06  -0.03   0.05
    36   1    -0.02   0.08   0.12     0.06  -0.09   0.01    -0.10   0.01  -0.01
    37   1    -0.04   0.01   0.15     0.04  -0.06  -0.06    -0.08  -0.01   0.09
    38   1     0.10   0.08   0.08    -0.02  -0.14  -0.00    -0.04   0.03   0.05
    39   1     0.13   0.06  -0.04    -0.09  -0.09   0.07     0.01  -0.01   0.03
    40   1    -0.00  -0.02  -0.02     0.14   0.13  -0.03    -0.01   0.01   0.00
    41   1    -0.08  -0.09   0.01     0.03   0.02   0.01    -0.14  -0.11   0.06
    42   1    -0.12  -0.05  -0.18    -0.08   0.27  -0.12    -0.24   0.05  -0.22
    43   1    -0.14  -0.06  -0.10    -0.20   0.17  -0.01    -0.30  -0.00  -0.06
    44   1    -0.02  -0.03  -0.24    -0.17   0.30  -0.11    -0.15   0.05  -0.26
    45   1     0.05  -0.02  -0.20     0.05   0.21  -0.14     0.04  -0.01  -0.26
    46   1     0.03  -0.01  -0.09    -0.17   0.12   0.16    -0.04   0.02   0.12
    47   1     0.11  -0.04  -0.13    -0.06   0.00   0.08     0.09  -0.17   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --     97.3379               119.7026               121.2910
 Red. masses --      6.0833                 4.4473                 4.8150
 Frc consts  --      0.0340                 0.0375                 0.0417
 IR Inten    --      1.0036                 0.6046                 0.3251
 RamAct Fr= 1--      1.6780                 0.9277                 2.2139
  Dep-P Fr= 1--      0.6695                 0.3409                 0.6994
  Dep-U Fr= 1--      0.8020                 0.5085                 0.8231
 Alpha2 Fr= 1--      0.0024                 0.0084                 0.0020
 Beta2  Fr= 1--      0.2243                 0.0786                 0.3037
 AlphaG Fr= 1--      0.0015                -0.0037                 0.0031
 Gamma2 Fr= 1--     -0.3119                -0.0472                -0.9885
 Delta2 Fr= 1--     -0.0515                -0.0618                 0.1069
 Raman1 Fr= 1--       6.712                  3.711                  8.856
 ROA1   Fr= 1--     -31.591                 -6.507                -91.478
 CID1   Fr= 1--      -4.707                 -1.754                -10.330
 Raman2 Fr= 1--       2.692                  0.943                  3.645
 ROA2   Fr= 1--      -7.074                 -0.638                -24.580
 CID2   Fr= 1--      -2.628                 -0.676                 -6.744
 Raman3 Fr= 1--       5.383                  1.887                  7.289
 ROA3   Fr= 1--     -31.591                 -6.507                -91.478
 CID3   Fr= 1--      -5.868                 -3.449                -12.549
 RC180  Fr= 1--       0.604                  0.017                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02   0.05    -0.07  -0.00  -0.00     0.07   0.12   0.14
     2   6     0.03  -0.04  -0.03    -0.03  -0.03   0.01    -0.00   0.03   0.04
     3   6     0.02  -0.05  -0.05    -0.00  -0.03  -0.01    -0.03   0.00   0.00
     4   6     0.04  -0.03  -0.02    -0.00  -0.01  -0.06    -0.09  -0.05  -0.07
     5   6     0.17   0.10   0.10    -0.03   0.02  -0.06    -0.09   0.01  -0.04
     6   6     0.12   0.11   0.22    -0.06   0.02  -0.05     0.03   0.01   0.13
     7   6     0.01  -0.06  -0.06     0.02  -0.05   0.01    -0.03   0.00   0.00
     8   6     0.02  -0.06  -0.05     0.01  -0.06   0.04    -0.03   0.01   0.01
     9   6     0.02  -0.05  -0.03    -0.02  -0.05   0.04    -0.01   0.02   0.03
    10   6     0.02  -0.05  -0.02    -0.01  -0.05   0.02    -0.02   0.01  -0.01
    11   6    -0.01  -0.03  -0.01     0.08  -0.03  -0.01     0.03  -0.01  -0.03
    12   6    -0.03  -0.02  -0.01     0.07  -0.02  -0.05     0.02  -0.01  -0.03
    13   6    -0.03  -0.03   0.00     0.02   0.03  -0.09     0.01   0.00  -0.02
    14   6    -0.04  -0.02  -0.01     0.03   0.01  -0.05     0.03  -0.03   0.02
    15   6    -0.06  -0.01  -0.03     0.06  -0.04  -0.00     0.02  -0.03   0.01
    16   6    -0.05  -0.01  -0.03     0.09  -0.06  -0.00     0.01  -0.02  -0.01
    17   6     0.00  -0.06   0.05    -0.03   0.10  -0.17    -0.04   0.07  -0.11
    18   6     0.01  -0.07   0.06     0.12   0.03   0.01    -0.03   0.09  -0.07
    19   6    -0.01  -0.06   0.07     0.07  -0.09   0.12     0.02  -0.03  -0.02
    20   6    -0.02  -0.03   0.02     0.04  -0.01  -0.02     0.06  -0.06   0.08
    21  40    -0.00  -0.01  -0.06    -0.04  -0.01   0.05     0.01   0.00  -0.00
    22  17    -0.02  -0.02  -0.07     0.06   0.13  -0.06    -0.14  -0.03  -0.11
    23  17    -0.10   0.22   0.11    -0.09   0.02   0.05     0.15  -0.04   0.10
    24   1     0.01  -0.08  -0.05     0.02  -0.07   0.07    -0.04  -0.01  -0.01
    25   1     0.01  -0.08  -0.08     0.04  -0.06   0.00    -0.05  -0.01  -0.02
    26   1     0.22  -0.01   0.01    -0.09  -0.00   0.01     0.10   0.29   0.09
    27   1     0.02   0.02   0.06    -0.09  -0.01   0.01     0.14   0.11   0.30
    28   1     0.23   0.20   0.32    -0.09   0.04  -0.06     0.08   0.07   0.18
    29   1    -0.04   0.07   0.32    -0.04   0.02  -0.06     0.03  -0.13   0.19
    30   1     0.29   0.14   0.00    -0.03   0.02  -0.06    -0.16   0.15  -0.07
    31   1     0.19   0.13   0.18    -0.02   0.04  -0.08    -0.13  -0.08  -0.13
    32   1    -0.05  -0.14   0.06     0.02  -0.03  -0.07    -0.06  -0.16  -0.08
    33   1     0.03  -0.02  -0.17     0.01  -0.01  -0.08    -0.16  -0.03  -0.15
    34   1     0.02  -0.05  -0.02    -0.02  -0.04   0.08    -0.04   0.02   0.00
    35   1     0.03  -0.05   0.00    -0.05  -0.06  -0.02    -0.05   0.01  -0.04
    36   1    -0.02  -0.05  -0.02     0.13  -0.06   0.04     0.06  -0.04  -0.00
    37   1     0.00  -0.02   0.01     0.12  -0.02  -0.06     0.05  -0.00  -0.07
    38   1    -0.07   0.00  -0.04     0.12  -0.11   0.04     0.02  -0.04  -0.01
    39   1    -0.07   0.00  -0.04     0.08  -0.07   0.03     0.02  -0.05   0.04
    40   1    -0.01  -0.05   0.08    -0.16  -0.04  -0.32    -0.04   0.02  -0.21
    41   1     0.03  -0.08   0.04    -0.05   0.33  -0.25    -0.09   0.16  -0.11
    42   1     0.02  -0.07   0.07     0.13  -0.01   0.05    -0.06   0.12  -0.13
    43   1     0.02  -0.06   0.05     0.26   0.12   0.02    -0.04   0.15   0.01
    44   1     0.01  -0.08   0.09     0.18  -0.17   0.25     0.03  -0.02   0.01
    45   1    -0.05  -0.06   0.10    -0.12  -0.16   0.16     0.02  -0.10  -0.10
    46   1     0.00  -0.05  -0.01     0.10  -0.06  -0.11     0.09   0.02   0.18
    47   1    -0.05  -0.01   0.02    -0.02   0.06  -0.02     0.09  -0.18   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    124.6770               138.1219               142.4039
 Red. masses --      4.4030                 4.1200                 4.5371
 Frc consts  --      0.0403                 0.0463                 0.0542
 IR Inten    --      0.1981                 0.6535                 0.1824
 RamAct Fr= 1--      4.3498                 3.1912                 2.0867
  Dep-P Fr= 1--      0.3835                 0.6367                 0.7111
  Dep-U Fr= 1--      0.5544                 0.7781                 0.8312
 Alpha2 Fr= 1--      0.0341                 0.0065                 0.0014
 Beta2  Fr= 1--      0.4019                 0.4138                 0.2891
 AlphaG Fr= 1--      0.0283                 0.0034                -0.0011
 Gamma2 Fr= 1--      1.7861                 1.4111                -1.3468
 Delta2 Fr= 1--     -0.1898                -0.1236                 0.3584
 Raman1 Fr= 1--      17.399                 12.765                  8.347
 ROA1   Fr= 1--     165.388                131.513               -117.821
 CID1   Fr= 1--       9.506                 10.303                -14.116
 Raman2 Fr= 1--       4.823                  4.966                  3.469
 ROA2   Fr= 1--      44.385                 34.856                -35.190
 CID2   Fr= 1--       9.202                  7.019                -10.144
 Raman3 Fr= 1--       9.646                  9.932                  6.938
 ROA3   Fr= 1--     165.388                131.513               -117.821
 CID3   Fr= 1--      17.145                 13.242                -16.983
 RC180  Fr= 1--       0.109                  0.556                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.05     0.10   0.08   0.12     0.15   0.12   0.08
     2   6    -0.07   0.02   0.06     0.06   0.03   0.07     0.08   0.06   0.00
     3   6    -0.06   0.03   0.06     0.03   0.01   0.04     0.03   0.04  -0.02
     4   6    -0.06   0.04   0.05     0.01  -0.01   0.01    -0.01  -0.02  -0.08
     5   6    -0.16  -0.03  -0.03    -0.11  -0.09  -0.08    -0.03  -0.01  -0.09
     6   6    -0.11  -0.03  -0.07     0.04  -0.10  -0.05     0.10  -0.01   0.03
     7   6    -0.07   0.01   0.05    -0.01  -0.03  -0.00     0.03   0.05  -0.02
     8   6    -0.09   0.00   0.03    -0.02  -0.04  -0.00     0.05   0.07  -0.02
     9   6    -0.08   0.01   0.05     0.01  -0.01   0.03     0.07   0.06  -0.02
    10   6    -0.07   0.00   0.01    -0.03  -0.03   0.02     0.06   0.04  -0.09
    11   6     0.03  -0.03  -0.03    -0.03  -0.03   0.02     0.04  -0.06  -0.08
    12   6     0.06  -0.04  -0.02    -0.05  -0.02   0.01     0.02  -0.07  -0.00
    13   6     0.09  -0.06   0.03    -0.07  -0.00   0.00     0.01  -0.06   0.01
    14   6     0.04  -0.03   0.00    -0.06  -0.02   0.03    -0.01  -0.04  -0.01
    15   6     0.01  -0.02  -0.03    -0.05  -0.04   0.04    -0.01  -0.07   0.00
    16   6     0.02  -0.03  -0.05    -0.05  -0.03   0.02     0.01  -0.08   0.01
    17   6     0.18  -0.09   0.12    -0.11   0.05  -0.06     0.06  -0.11   0.09
    18   6     0.06  -0.02   0.02    -0.08   0.04   0.01     0.02  -0.11   0.01
    19   6     0.05   0.09  -0.04    -0.07  -0.06   0.07    -0.02   0.01  -0.05
    20   6     0.02   0.01   0.00    -0.04  -0.03   0.07    -0.05  -0.00  -0.07
    21  40     0.04  -0.03  -0.02     0.06   0.02  -0.04    -0.03   0.01   0.07
    22  17     0.04   0.01  -0.10     0.10  -0.00   0.03    -0.04   0.08  -0.01
    23  17    -0.02   0.10   0.06    -0.04   0.08  -0.08    -0.10  -0.05  -0.05
    24   1    -0.11  -0.03   0.01    -0.05  -0.06  -0.04     0.06   0.10  -0.01
    25   1    -0.08   0.01   0.04    -0.03  -0.05  -0.04     0.01   0.06  -0.01
    26   1    -0.16   0.11   0.06     0.02   0.30   0.11     0.14   0.28   0.05
    27   1    -0.03   0.03   0.10     0.24   0.07   0.29     0.23   0.10   0.22
    28   1    -0.18  -0.07  -0.13    -0.03  -0.14  -0.11     0.12   0.02   0.05
    29   1    -0.01  -0.03  -0.12     0.19  -0.18  -0.10     0.14  -0.12   0.06
    30   1    -0.24  -0.04   0.03    -0.26  -0.03  -0.01    -0.12   0.10  -0.08
    31   1    -0.17  -0.05  -0.10    -0.15  -0.20  -0.21    -0.08  -0.11  -0.17
    32   1    -0.00   0.12  -0.00     0.09   0.05  -0.06     0.02  -0.09  -0.10
    33   1    -0.03   0.02   0.14     0.00  -0.02   0.11    -0.08   0.00  -0.11
    34   1    -0.08   0.00   0.04    -0.06  -0.00   0.02     0.06   0.05  -0.15
    35   1    -0.11   0.01  -0.05    -0.04  -0.06   0.02     0.07   0.09  -0.09
    36   1     0.08  -0.05   0.02    -0.03  -0.04   0.03     0.04  -0.12  -0.10
    37   1     0.04  -0.04  -0.10    -0.02  -0.02   0.02     0.06  -0.05  -0.13
    38   1    -0.01  -0.03  -0.07    -0.06  -0.04   0.01     0.02  -0.10   0.02
    39   1    -0.02  -0.01  -0.05    -0.05  -0.05   0.06    -0.01  -0.07   0.02
    40   1     0.28   0.03   0.26    -0.14  -0.02  -0.16     0.10  -0.04   0.20
    41   1     0.23  -0.29   0.16    -0.14   0.15  -0.09     0.10  -0.24   0.11
    42   1     0.09   0.02   0.02    -0.09   0.06  -0.02     0.04  -0.11   0.05
    43   1    -0.03  -0.10   0.00    -0.05   0.11   0.06    -0.02  -0.18  -0.05
    44   1    -0.03   0.17  -0.11    -0.01  -0.09   0.13    -0.06   0.05  -0.10
    45   1     0.17   0.16  -0.04    -0.14  -0.12   0.05     0.05   0.09  -0.01
    46   1    -0.04   0.02   0.04    -0.01  -0.01   0.08    -0.10  -0.05  -0.12
    47   1     0.02   0.01   0.01    -0.05  -0.06   0.08    -0.05   0.07  -0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    163.8621               182.1986               188.5696
 Red. masses --      7.5629                 3.4434                 5.4978
 Frc consts  --      0.1196                 0.0673                 0.1152
 IR Inten    --      2.1674                 0.8370                 1.6961
 RamAct Fr= 1--      1.4417                 7.6317                 3.7538
  Dep-P Fr= 1--      0.2769                 0.2156                 0.4764
  Dep-U Fr= 1--      0.4338                 0.3547                 0.6454
 Alpha2 Fr= 1--      0.0158                 0.0994                 0.0206
 Beta2  Fr= 1--      0.1042                 0.4512                 0.4038
 AlphaG Fr= 1--     -0.0042                -0.1662                 0.1435
 Gamma2 Fr= 1--      0.5988                 2.3060                 0.1332
 Delta2 Fr= 1--      0.2468                 0.3701                -0.0050
 Raman1 Fr= 1--       5.767                 30.527                 15.015
 ROA1   Fr= 1--      65.379                233.215                 12.624
 CID1   Fr= 1--      11.337                  7.640                  0.841
 Raman2 Fr= 1--       1.251                  5.414                  4.845
 ROA2   Fr= 1--      12.395                 52.383                  3.236
 CID2   Fr= 1--       9.911                  9.675                  0.668
 Raman3 Fr= 1--       2.501                 10.828                  9.690
 ROA3   Fr= 1--      65.379                233.215                 12.624
 CID3   Fr= 1--      26.137                 21.538                  1.303
 RC180  Fr= 1--      -0.132                 -0.291                  0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.05     0.06   0.04   0.06    -0.08  -0.08  -0.01
     2   6    -0.04  -0.03  -0.04     0.05   0.01   0.04    -0.02  -0.04   0.05
     3   6    -0.06  -0.07  -0.08     0.06   0.02   0.05     0.03  -0.04   0.03
     4   6    -0.13  -0.14  -0.17     0.14   0.10   0.13    -0.00  -0.06  -0.04
     5   6    -0.07  -0.04  -0.10     0.02  -0.02   0.02     0.03   0.01   0.00
     6   6     0.01  -0.03   0.09     0.05  -0.03  -0.09    -0.05   0.02   0.03
     7   6    -0.06  -0.07  -0.08     0.02  -0.03  -0.01     0.08  -0.05   0.07
     8   6    -0.04  -0.05  -0.05    -0.01  -0.06  -0.02     0.08  -0.06   0.13
     9   6    -0.03  -0.03  -0.03     0.00  -0.04  -0.00    -0.01  -0.06   0.10
    10   6    -0.00  -0.01  -0.01    -0.01  -0.04   0.01    -0.09  -0.11   0.04
    11   6     0.00   0.02  -0.02     0.03  -0.03  -0.01     0.12  -0.14  -0.04
    12   6    -0.02   0.04  -0.04    -0.01  -0.00  -0.02     0.01  -0.08  -0.07
    13   6    -0.01   0.02  -0.03    -0.04   0.02  -0.04    -0.01  -0.04  -0.05
    14   6    -0.01   0.02  -0.03    -0.06   0.05  -0.07    -0.06  -0.03  -0.03
    15   6    -0.02   0.05  -0.06    -0.05   0.03  -0.06    -0.08  -0.07  -0.04
    16   6    -0.04   0.06  -0.06    -0.02   0.00  -0.03    -0.06  -0.09  -0.09
    17   6     0.05  -0.03   0.06    -0.03  -0.01  -0.02     0.03  -0.05  -0.00
    18   6     0.02  -0.03   0.00     0.03  -0.06   0.01     0.01  -0.04  -0.01
    19   6     0.01   0.06  -0.04    -0.05   0.03  -0.00    -0.04   0.01  -0.01
    20   6    -0.01   0.02  -0.02    -0.10   0.08  -0.12    -0.07  -0.01  -0.01
    21  40    -0.07   0.02  -0.03    -0.03  -0.01  -0.01     0.03   0.11   0.00
    22  17     0.21   0.07   0.20    -0.03   0.01  -0.01    -0.08   0.04   0.06
    23  17     0.12  -0.03   0.13     0.08  -0.02   0.10     0.09   0.05  -0.08
    24   1    -0.04  -0.06  -0.05    -0.04  -0.08  -0.05     0.09  -0.08   0.16
    25   1    -0.09  -0.10  -0.12     0.03  -0.04  -0.02     0.10  -0.07   0.05
    26   1     0.09   0.13   0.00    -0.01   0.17   0.06    -0.08  -0.20   0.01
    27   1     0.07   0.02   0.15     0.13   0.04   0.15    -0.15  -0.07  -0.12
    28   1     0.09   0.05   0.17    -0.06  -0.10  -0.19    -0.04   0.06   0.05
    29   1    -0.05  -0.16   0.18     0.19   0.01  -0.19    -0.11   0.04   0.05
    30   1    -0.07   0.09  -0.16    -0.07  -0.08   0.11     0.09   0.00  -0.03
    31   1    -0.10  -0.10  -0.12     0.02  -0.04  -0.04     0.06   0.07   0.04
    32   1    -0.13  -0.30  -0.15     0.17   0.33   0.08    -0.01  -0.17  -0.02
    33   1    -0.23  -0.10  -0.30     0.25   0.06   0.32    -0.05  -0.04  -0.13
    34   1     0.01  -0.03   0.00    -0.03  -0.03   0.04    -0.20  -0.03   0.15
    35   1     0.00  -0.01  -0.01    -0.04  -0.07  -0.02    -0.21  -0.21  -0.08
    36   1     0.01   0.02  -0.01     0.07  -0.07   0.02     0.25  -0.28   0.07
    37   1     0.02   0.04  -0.00     0.08   0.01  -0.04     0.25  -0.05  -0.20
    38   1    -0.04   0.07  -0.07    -0.01  -0.01  -0.02    -0.07  -0.13  -0.11
    39   1    -0.03   0.06  -0.08    -0.07   0.04  -0.07    -0.11  -0.09  -0.02
    40   1     0.08   0.03   0.17    -0.09  -0.03  -0.00     0.05  -0.02   0.05
    41   1     0.10  -0.15   0.08    -0.02   0.02  -0.04     0.05  -0.11   0.00
    42   1     0.04  -0.03   0.03     0.08  -0.12   0.12     0.04  -0.02   0.03
    43   1    -0.00  -0.08  -0.04     0.11  -0.10  -0.09     0.00  -0.07  -0.04
    44   1    -0.04   0.09  -0.09    -0.04   0.02  -0.00    -0.06   0.03  -0.01
    45   1     0.08   0.10  -0.03    -0.08   0.09   0.08    -0.02   0.03   0.00
    46   1    -0.02   0.04   0.01    -0.12  -0.00  -0.22    -0.06  -0.01  -0.00
    47   1    -0.01   0.00  -0.01    -0.14   0.19  -0.15    -0.08  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    197.3630               236.3403               261.6173
 Red. masses --      3.4164                 2.9980                 2.2388
 Frc consts  --      0.0784                 0.0987                 0.0903
 IR Inten    --      1.0224                 0.0490                 0.1704
 RamAct Fr= 1--      2.3084                 0.8170                 1.4778
  Dep-P Fr= 1--      0.3882                 0.4442                 0.2259
  Dep-U Fr= 1--      0.5593                 0.6152                 0.3685
 Alpha2 Fr= 1--      0.0178                 0.0051                 0.0187
 Beta2  Fr= 1--      0.2152                 0.0838                 0.0908
 AlphaG Fr= 1--      0.0382                 0.0123                 0.0162
 Gamma2 Fr= 1--     -1.7618                 1.0862                 0.1608
 Delta2 Fr= 1--      0.0599                -0.0181                 0.0294
 Raman1 Fr= 1--       9.234                  3.268                  5.911
 ROA1   Fr= 1--    -167.213                103.692                 16.380
 CID1   Fr= 1--     -18.109                 31.731                  2.771
 Raman2 Fr= 1--       2.582                  1.005                  1.089
 ROA2   Fr= 1--     -42.762                 26.213                  3.625
 CID2   Fr= 1--     -16.560                 26.079                  3.328
 Raman3 Fr= 1--       5.164                  2.010                  2.178
 ROA3   Fr= 1--    -167.213                103.692                 16.380
 CID3   Fr= 1--     -32.379                 51.581                  7.520
 RC180  Fr= 1--       0.119                  0.230                 -0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.06   0.01   0.01    -0.06   0.00   0.05
     2   6    -0.03   0.01  -0.02    -0.01  -0.02   0.02     0.00  -0.07   0.04
     3   6    -0.04   0.01  -0.01    -0.03  -0.03   0.01     0.00  -0.06   0.04
     4   6    -0.10  -0.06  -0.06    -0.00   0.02   0.00     0.04  -0.00   0.02
     5   6    -0.04   0.01  -0.01    -0.03   0.05  -0.01    -0.04   0.04  -0.01
     6   6    -0.03   0.01   0.06    -0.05   0.05  -0.02    -0.05   0.05   0.00
     7   6     0.00   0.06   0.04    -0.05  -0.01   0.00    -0.02  -0.04   0.03
     8   6     0.02   0.08   0.03    -0.03   0.01   0.01    -0.01  -0.02   0.02
     9   6     0.01   0.05   0.01     0.02   0.01   0.03     0.02  -0.04   0.01
    10   6     0.00   0.04  -0.00     0.17   0.05  -0.06     0.20   0.02  -0.06
    11   6    -0.03  -0.00   0.02     0.24  -0.04  -0.07    -0.10   0.00   0.03
    12   6     0.00  -0.03   0.04     0.03   0.02   0.05    -0.02  -0.04   0.00
    13   6    -0.05   0.01  -0.02    -0.01   0.05   0.06    -0.01  -0.05  -0.03
    14   6    -0.07   0.04  -0.04    -0.02   0.06   0.03    -0.01  -0.05  -0.02
    15   6    -0.01  -0.02   0.03    -0.05   0.06   0.01     0.00  -0.03  -0.02
    16   6     0.03  -0.05   0.07    -0.03   0.03   0.02    -0.01  -0.02  -0.01
    17   6    -0.08   0.01  -0.04    -0.08  -0.01   0.04     0.03  -0.00  -0.03
    18   6     0.03  -0.06   0.03    -0.10  -0.05  -0.02     0.03   0.02  -0.00
    19   6    -0.08   0.05   0.02    -0.05  -0.09  -0.02     0.01   0.02  -0.00
    20   6    -0.15   0.11  -0.16     0.02  -0.01   0.00    -0.02  -0.02  -0.01
    21  40     0.06  -0.03   0.02     0.00  -0.01  -0.01    -0.00   0.02  -0.00
    22  17     0.04  -0.04  -0.04     0.02  -0.02  -0.00    -0.02   0.02   0.01
    23  17     0.05   0.02   0.02     0.00   0.00   0.01     0.02   0.02  -0.01
    24   1     0.04   0.10   0.05    -0.03   0.02   0.00    -0.01  -0.01   0.02
    25   1     0.01   0.08   0.06    -0.07  -0.01   0.00    -0.05  -0.04   0.03
    26   1     0.01  -0.08  -0.03    -0.07  -0.01   0.02    -0.07   0.03   0.05
    27   1    -0.07  -0.01  -0.08    -0.10   0.01   0.00    -0.11   0.00   0.10
    28   1     0.04   0.05   0.13    -0.07   0.05  -0.03    -0.07   0.06  -0.01
    29   1    -0.12  -0.02   0.12    -0.04   0.07  -0.03    -0.03   0.04  -0.00
    30   1    -0.00   0.05  -0.06    -0.04   0.05  -0.00    -0.09   0.06   0.01
    31   1    -0.04   0.00   0.01    -0.03   0.06  -0.03    -0.04   0.05  -0.09
    32   1    -0.10  -0.19  -0.05     0.00   0.05  -0.01     0.07   0.04  -0.01
    33   1    -0.18  -0.03  -0.17     0.05   0.01  -0.00     0.11  -0.02   0.02
    34   1     0.01   0.04  -0.04     0.27  -0.03  -0.11     0.40  -0.12  -0.32
    35   1     0.02   0.06   0.02     0.16   0.21  -0.11     0.38   0.29   0.09
    36   1    -0.06   0.01  -0.01     0.31  -0.32  -0.05    -0.28   0.19  -0.13
    37   1    -0.07  -0.03   0.02     0.42   0.09  -0.24    -0.25  -0.08   0.24
    38   1     0.06  -0.07   0.10    -0.03   0.03   0.01    -0.01  -0.01  -0.01
    39   1    -0.01  -0.02   0.03    -0.09   0.07  -0.02     0.03  -0.03  -0.02
    40   1    -0.17  -0.06  -0.09    -0.08  -0.01   0.05     0.03  -0.01  -0.05
    41   1    -0.08   0.12  -0.08    -0.13  -0.03   0.09     0.06   0.02  -0.06
    42   1     0.08  -0.14   0.18    -0.13  -0.05  -0.06     0.04   0.02   0.00
    43   1     0.15  -0.11  -0.10    -0.12  -0.03   0.01     0.03   0.01  -0.01
    44   1    -0.05   0.01   0.03     0.00  -0.16  -0.00    -0.02   0.06  -0.00
    45   1    -0.15   0.12   0.14    -0.12  -0.13  -0.02     0.03   0.04  -0.01
    46   1    -0.21  -0.03  -0.33     0.07   0.01   0.00    -0.04  -0.02  -0.00
    47   1    -0.20   0.32  -0.22     0.07  -0.04  -0.01    -0.05  -0.02   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    279.7853               284.9209               310.8992
 Red. masses --      3.3832                 3.1012                 2.2783
 Frc consts  --      0.1560                 0.1483                 0.1298
 IR Inten    --      2.2973                 2.7294                11.1994
 RamAct Fr= 1--     18.5440                 1.2637                 4.3983
  Dep-P Fr= 1--      0.1982                 0.7338                 0.2235
  Dep-U Fr= 1--      0.3309                 0.8465                 0.3654
 Alpha2 Fr= 1--      0.2530                 0.0003                 0.0561
 Beta2  Fr= 1--      1.0226                 0.1783                 0.2678
 AlphaG Fr= 1--     -0.3756                -0.0043                 0.0368
 Gamma2 Fr= 1--     -1.0669                 0.5514                 0.8543
 Delta2 Fr= 1--      0.1138                -0.0514                 0.4396
 Raman1 Fr= 1--      74.176                  5.055                 17.593
 ROA1   Fr= 1--     -98.786                 51.293                 96.082
 CID1   Fr= 1--      -1.332                 10.148                  5.461
 Raman2 Fr= 1--      12.272                  2.139                  3.214
 ROA2   Fr= 1--     -26.517                 13.646                 16.987
 CID2   Fr= 1--      -2.161                  6.379                  5.285
 Raman3 Fr= 1--      24.543                  4.279                  6.428
 ROA3   Fr= 1--     -98.786                 51.293                 96.082
 CID3   Fr= 1--      -4.025                 11.988                 14.947
 RC180  Fr= 1--      -0.338                  0.693                 -0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.01  -0.02   0.00     0.01  -0.01  -0.02
     2   6     0.01   0.01   0.01    -0.04  -0.08  -0.05    -0.02  -0.01  -0.04
     3   6    -0.04  -0.03  -0.04     0.06  -0.00   0.06    -0.02  -0.00  -0.03
     4   6    -0.02   0.00  -0.01     0.08   0.01   0.03     0.02   0.03   0.03
     5   6     0.06   0.01   0.03    -0.10  -0.00  -0.06    -0.03  -0.01  -0.01
     6   6     0.00   0.00  -0.07    -0.02   0.00   0.11     0.00  -0.01   0.04
     7   6    -0.11  -0.09  -0.11     0.13   0.06   0.12     0.00  -0.00  -0.02
     8   6    -0.09  -0.07  -0.08     0.06  -0.00   0.04     0.01   0.00  -0.01
     9   6    -0.02  -0.01  -0.00    -0.04  -0.08  -0.07    -0.00  -0.00  -0.01
    10   6     0.01   0.00  -0.01    -0.02  -0.06  -0.06     0.00   0.00   0.02
    11   6     0.03   0.01  -0.02     0.01   0.04  -0.07     0.01  -0.01   0.03
    12   6    -0.02   0.02   0.01    -0.06   0.08  -0.05     0.03  -0.02   0.02
    13   6    -0.04   0.05   0.00    -0.04   0.08  -0.01    -0.02   0.01  -0.04
    14   6     0.04  -0.03   0.10     0.03   0.01   0.07    -0.01   0.01  -0.04
    15   6     0.11  -0.12   0.19     0.06  -0.02   0.10     0.08  -0.06   0.06
    16   6     0.07  -0.08   0.13    -0.00   0.03   0.03     0.10  -0.07   0.09
    17   6    -0.06   0.01   0.02    -0.05   0.02   0.03     0.07  -0.03   0.06
    18   6     0.05  -0.09   0.02     0.03  -0.07   0.01    -0.09   0.09  -0.00
    19   6     0.01   0.07  -0.05     0.02   0.04  -0.05    -0.03  -0.08   0.07
    20   6     0.00   0.01   0.02     0.03   0.01   0.02    -0.02   0.02  -0.06
    21  40    -0.01   0.04  -0.01    -0.03  -0.01  -0.02    -0.03   0.01  -0.02
    22  17    -0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    23  17     0.02   0.02  -0.01    -0.00   0.01  -0.02     0.05   0.02  -0.02
    24   1    -0.13  -0.11  -0.12     0.09   0.03   0.07     0.02   0.01   0.01
    25   1    -0.16  -0.14  -0.18     0.20   0.12   0.20     0.02   0.00  -0.02
    26   1    -0.05   0.03   0.02     0.08  -0.01  -0.04     0.05  -0.02  -0.04
    27   1     0.02   0.01   0.01    -0.06  -0.02   0.05    -0.00  -0.01  -0.03
    28   1    -0.07  -0.05  -0.14     0.10   0.11   0.23     0.06   0.02   0.09
    29   1     0.07   0.07  -0.14    -0.14  -0.12   0.24    -0.05  -0.05   0.09
    30   1     0.15  -0.07   0.01    -0.30   0.13   0.00    -0.10   0.02   0.02
    31   1     0.08   0.07   0.13    -0.15  -0.10  -0.28    -0.05  -0.05  -0.07
    32   1    -0.07   0.00   0.03     0.16   0.12  -0.05     0.03   0.16   0.01
    33   1     0.01  -0.00  -0.03     0.12  -0.01   0.14     0.08   0.01   0.13
    34   1     0.02  -0.01   0.00    -0.02  -0.08   0.02     0.00   0.00   0.03
    35   1    -0.00   0.01  -0.02    -0.05  -0.09  -0.08     0.00  -0.01   0.03
    36   1     0.05  -0.05  -0.01     0.02  -0.00  -0.06     0.01   0.01   0.03
    37   1     0.07   0.03  -0.05     0.07   0.10  -0.04    -0.01  -0.03   0.01
    38   1     0.12  -0.13   0.18     0.00   0.02   0.04     0.16  -0.12   0.16
    39   1     0.18  -0.19   0.29     0.08  -0.06   0.15     0.13  -0.09   0.10
    40   1    -0.16  -0.04   0.02    -0.13  -0.00   0.06     0.22   0.13   0.22
    41   1    -0.06   0.07  -0.01    -0.05   0.04   0.02     0.15  -0.27   0.10
    42   1     0.08  -0.21   0.17     0.04  -0.16   0.12    -0.13   0.22  -0.19
    43   1     0.15  -0.17  -0.13     0.10  -0.12  -0.09    -0.24   0.16   0.18
    44   1    -0.10   0.14  -0.18    -0.05   0.08  -0.14     0.11  -0.20   0.20
    45   1     0.17   0.17  -0.05     0.13   0.10  -0.05    -0.25  -0.19   0.09
    46   1    -0.08  -0.00   0.04    -0.01   0.02   0.05     0.01  -0.06  -0.18
    47   1     0.06   0.03  -0.02     0.08   0.00   0.00    -0.07   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    318.6022               326.1832               339.8588
 Red. masses --      2.7877                 3.3146                23.0567
 Frc consts  --      0.1667                 0.2078                 1.5691
 IR Inten    --     21.9093                 9.6275                46.0890
 RamAct Fr= 1--      5.4881                 3.7032                10.5621
  Dep-P Fr= 1--      0.1251                 0.7060                 0.0136
  Dep-U Fr= 1--      0.2224                 0.8277                 0.0268
 Alpha2 Fr= 1--      0.0903                 0.0028                 0.2274
 Beta2  Fr= 1--      0.2034                 0.5108                 0.0472
 AlphaG Fr= 1--      0.0293                 0.0013                -0.2276
 Gamma2 Fr= 1--      1.4125                -0.8961                 0.5574
 Delta2 Fr= 1--      0.1255                 0.3697                 0.2648
 Raman1 Fr= 1--      21.952                 14.813                 42.248
 ROA1   Fr= 1--     139.621                -74.194                 61.980
 CID1   Fr= 1--       6.360                 -5.009                  1.467
 Raman2 Fr= 1--       2.441                  6.130                  0.566
 ROA2   Fr= 1--      32.897                -24.463                 11.259
 CID2   Fr= 1--      13.476                 -3.991                 19.876
 Raman3 Fr= 1--       4.882                 12.260                  1.133
 ROA3   Fr= 1--     139.621                -74.194                 61.980
 CID3   Fr= 1--      28.597                 -6.052                 54.708
 RC180  Fr= 1--      -0.555                  0.655                 -0.946
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.06  -0.07    -0.02   0.01   0.06    -0.02  -0.04  -0.01
     2   6    -0.00   0.00  -0.04     0.02  -0.04   0.05     0.02  -0.00   0.04
     3   6    -0.02  -0.02  -0.05     0.05  -0.01   0.08     0.00  -0.03  -0.01
     4   6     0.05   0.06   0.03     0.00  -0.07  -0.04     0.05   0.02   0.02
     5   6    -0.09  -0.01  -0.06     0.05   0.02   0.00    -0.03  -0.00  -0.02
     6   6     0.01  -0.00   0.11    -0.01   0.02  -0.05    -0.01   0.00   0.04
     7   6    -0.07  -0.07  -0.11     0.01  -0.02   0.05     0.01  -0.04  -0.00
     8   6    -0.06  -0.05  -0.10    -0.07  -0.07  -0.05     0.09   0.02   0.10
     9   6     0.00  -0.00  -0.03    -0.08  -0.08  -0.08     0.07   0.04   0.10
    10   6    -0.02  -0.01  -0.01    -0.05  -0.06  -0.12     0.04   0.02   0.04
    11   6    -0.00  -0.00  -0.01    -0.06   0.07  -0.12    -0.01  -0.01   0.03
    12   6     0.02  -0.01   0.02    -0.05   0.08  -0.08    -0.03   0.00  -0.06
    13   6     0.03  -0.02   0.03    -0.01   0.07  -0.01    -0.06   0.00  -0.10
    14   6     0.01   0.00   0.01     0.02   0.05   0.02    -0.04  -0.03  -0.04
    15   6    -0.02   0.02  -0.02     0.04   0.01   0.05     0.02  -0.09   0.02
    16   6    -0.01   0.00  -0.01    -0.00   0.04  -0.02    -0.02  -0.04  -0.05
    17   6    -0.01   0.00  -0.01     0.02   0.01   0.07     0.04  -0.03  -0.00
    18   6    -0.00  -0.00  -0.00    -0.07   0.04  -0.01    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.02  -0.06   0.03    -0.04   0.00   0.02
    20   6    -0.00   0.01  -0.01     0.01   0.05  -0.07    -0.06  -0.02  -0.00
    21  40     0.07   0.01   0.02     0.06   0.00   0.02     0.03   0.27  -0.06
    22  17    -0.05   0.06   0.04    -0.03   0.03   0.01     0.19  -0.28  -0.19
    23  17    -0.03  -0.03   0.02    -0.03  -0.03   0.03    -0.28  -0.33   0.29
    24   1    -0.11  -0.09  -0.15    -0.13  -0.12  -0.11     0.11   0.00   0.14
    25   1    -0.12  -0.11  -0.16    -0.02  -0.01   0.05    -0.05  -0.09  -0.07
    26   1     0.08  -0.26  -0.06    -0.08   0.08   0.06    -0.00  -0.15   0.01
    27   1    -0.09  -0.05  -0.24    -0.02   0.00   0.13    -0.07  -0.03  -0.10
    28   1     0.17   0.11   0.26    -0.11  -0.01  -0.13     0.03   0.05   0.09
    29   1    -0.17  -0.11   0.26     0.07   0.07  -0.13    -0.07  -0.04   0.09
    30   1    -0.28   0.12   0.00     0.14  -0.03  -0.03    -0.13   0.04   0.02
    31   1    -0.15  -0.12  -0.24     0.08   0.08   0.06    -0.05  -0.04  -0.11
    32   1     0.10   0.33  -0.03     0.01  -0.30  -0.03     0.07   0.19  -0.00
    33   1     0.19   0.01   0.25    -0.12  -0.03  -0.22     0.14  -0.01   0.14
    34   1    -0.05   0.01   0.03    -0.02  -0.09  -0.05     0.05   0.03  -0.05
    35   1    -0.04  -0.05  -0.01    -0.06  -0.06  -0.14     0.08   0.07   0.06
    36   1     0.00  -0.00  -0.00    -0.09   0.11  -0.15    -0.03   0.02   0.02
    37   1    -0.01  -0.01  -0.02    -0.07   0.07  -0.03    -0.01  -0.01   0.07
    38   1    -0.03   0.03  -0.03    -0.03   0.07  -0.05    -0.01  -0.08  -0.04
    39   1    -0.05   0.03  -0.04     0.04  -0.01   0.07     0.10  -0.15   0.10
    40   1    -0.02  -0.03  -0.07     0.10   0.12   0.21     0.10   0.06   0.13
    41   1    -0.05   0.06  -0.01     0.05  -0.17   0.12     0.14  -0.18  -0.01
    42   1     0.00  -0.00   0.00    -0.11   0.10  -0.12     0.01   0.07  -0.02
    43   1     0.01   0.00  -0.01    -0.15   0.09   0.10    -0.05   0.01   0.01
    44   1     0.00  -0.01   0.00     0.10  -0.17   0.11    -0.02  -0.01   0.06
    45   1    -0.01   0.00   0.01    -0.18  -0.13   0.06    -0.08  -0.02   0.02
    46   1    -0.01  -0.00  -0.03    -0.00  -0.05  -0.21    -0.03  -0.01  -0.00
    47   1     0.00   0.04  -0.02     0.00   0.20  -0.13    -0.08  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    343.9353               362.3437               366.6866
 Red. masses --     15.1032                 2.9050                 2.8677
 Frc consts  --      1.0526                 0.2247                 0.2272
 IR Inten    --     34.9847                20.0314                22.6028
 RamAct Fr= 1--      0.6076                 5.6055                 6.4198
  Dep-P Fr= 1--      0.4756                 0.4632                 0.4222
  Dep-U Fr= 1--      0.6446                 0.6332                 0.5937
 Alpha2 Fr= 1--      0.0033                 0.0326                 0.0438
 Beta2  Fr= 1--      0.0653                 0.5915                 0.6353
 AlphaG Fr= 1--     -0.0101                 0.1119                 0.1187
 Gamma2 Fr= 1--      2.6358                -0.8072                 1.1992
 Delta2 Fr= 1--     -0.4601                -0.8966                -0.0755
 Raman1 Fr= 1--       2.430                 22.422                 25.679
 ROA1   Fr= 1--     238.309               -106.182                112.705
 CID1   Fr= 1--      98.060                 -4.736                  4.389
 Raman2 Fr= 1--       0.783                  7.098                  7.623
 ROA2   Fr= 1--      66.940                -12.200                 29.384
 CID2   Fr= 1--      85.457                 -1.719                  3.854
 Raman3 Fr= 1--       1.567                 14.197                 15.247
 ROA3   Fr= 1--     238.309               -106.182                112.705
 CID3   Fr= 1--     152.116                 -7.479                  7.392
 RC180  Fr= 1--       0.289                  0.266                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.01  -0.10  -0.04     0.00   0.01   0.00
     2   6     0.05  -0.00   0.05     0.13   0.10   0.17    -0.01  -0.01  -0.01
     3   6    -0.00  -0.04  -0.02     0.12   0.10   0.17     0.00   0.00   0.00
     4   6     0.06   0.02  -0.02     0.01  -0.01  -0.05    -0.00  -0.00   0.00
     5   6    -0.01   0.01  -0.06    -0.02   0.04  -0.07     0.00  -0.00   0.01
     6   6     0.04   0.01   0.03     0.06   0.03   0.00    -0.00  -0.00  -0.00
     7   6    -0.10  -0.12  -0.11    -0.01   0.02   0.05     0.02   0.01   0.01
     8   6    -0.10  -0.10  -0.11    -0.09  -0.03  -0.06     0.01   0.00   0.00
     9   6    -0.03  -0.04  -0.06     0.03   0.04   0.03    -0.00  -0.01  -0.00
    10   6    -0.05  -0.04  -0.09     0.01   0.03   0.02    -0.00  -0.01  -0.00
    11   6    -0.06   0.04  -0.09     0.01  -0.01   0.02     0.01  -0.02  -0.00
    12   6    -0.03   0.04  -0.07     0.01  -0.01   0.02     0.02  -0.03   0.04
    13   6     0.05  -0.01   0.05    -0.00  -0.01  -0.00     0.13  -0.11   0.18
    14   6     0.01   0.02  -0.00     0.00  -0.01  -0.00     0.12  -0.10   0.17
    15   6    -0.07   0.08  -0.09     0.02  -0.01   0.01     0.01  -0.02   0.06
    16   6    -0.10   0.09  -0.12     0.01  -0.01   0.02    -0.08   0.04  -0.05
    17   6     0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.02  -0.02
    18   6     0.01   0.01  -0.01     0.00   0.00   0.00    -0.01   0.05  -0.01
    19   6     0.03  -0.02  -0.01     0.00   0.00   0.00     0.03  -0.02   0.00
    20   6     0.02   0.01  -0.03    -0.01  -0.01   0.00    -0.02   0.02  -0.12
    21  40    -0.08   0.06   0.24    -0.03  -0.01  -0.03    -0.02   0.02  -0.03
    22  17     0.18  -0.25  -0.19    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    23  17     0.13   0.14  -0.14     0.01   0.00   0.01     0.00  -0.00   0.00
    24   1    -0.16  -0.15  -0.16    -0.16  -0.06  -0.13     0.01   0.01   0.01
    25   1    -0.16  -0.17  -0.17    -0.07   0.01   0.02     0.02   0.02   0.01
    26   1     0.01  -0.22   0.04    -0.03  -0.53   0.07     0.00   0.05  -0.01
    27   1    -0.06  -0.05  -0.14    -0.12  -0.07  -0.45     0.02   0.01   0.04
    28   1     0.06   0.07   0.07     0.06   0.06   0.01    -0.01  -0.01  -0.01
    29   1    -0.01  -0.04   0.08     0.02   0.03   0.03     0.00   0.00  -0.01
    30   1    -0.12   0.08  -0.02    -0.12   0.16  -0.06     0.01  -0.01   0.01
    31   1    -0.04  -0.06  -0.16    -0.07  -0.06  -0.18     0.00   0.00   0.01
    32   1     0.08   0.16  -0.04     0.11  -0.29  -0.10    -0.00  -0.01   0.01
    33   1     0.14   0.00   0.07    -0.18   0.04  -0.21    -0.01   0.00  -0.00
    34   1    -0.07  -0.04  -0.03    -0.01   0.04   0.00    -0.01  -0.00   0.00
    35   1    -0.08  -0.08  -0.11     0.00   0.02   0.02    -0.01  -0.01  -0.01
    36   1    -0.09   0.09  -0.11     0.01  -0.02   0.02     0.01  -0.04  -0.00
    37   1    -0.08   0.03  -0.02     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    38   1    -0.14   0.13  -0.17     0.02  -0.01   0.03    -0.13   0.08  -0.12
    39   1    -0.10   0.10  -0.11     0.03  -0.01   0.01    -0.04   0.00   0.02
    40   1     0.03  -0.00  -0.03     0.01  -0.00  -0.01    -0.00  -0.11  -0.30
    41   1    -0.03   0.04   0.03     0.01  -0.00  -0.01    -0.16   0.25  -0.01
    42   1    -0.01   0.02  -0.05     0.00   0.01  -0.00    -0.05   0.08  -0.10
    43   1    -0.01   0.03   0.02    -0.00   0.01   0.01    -0.04   0.10   0.07
    44   1     0.04  -0.03   0.01    -0.00   0.01   0.00     0.06  -0.04   0.03
    45   1     0.00  -0.03  -0.00     0.01   0.01   0.00    -0.03  -0.02   0.04
    46   1     0.01  -0.03  -0.08    -0.01  -0.01  -0.00    -0.23  -0.25  -0.41
    47   1     0.02   0.05  -0.05    -0.01   0.00   0.00     0.00   0.43  -0.29
                     25                     26                     27
                      A                      A                      A
 Frequencies --    413.4526               424.4619               429.5910
 Red. masses --      4.1794                 3.0073                 2.9845
 Frc consts  --      0.4209                 0.3192                 0.3245
 IR Inten    --      4.1315                 0.2912                 0.8004
 RamAct Fr= 1--      8.3164                 1.4736                 1.2417
  Dep-P Fr= 1--      0.4893                 0.5672                 0.5034
  Dep-U Fr= 1--      0.6570                 0.7238                 0.6697
 Alpha2 Fr= 1--      0.0431                 0.0051                 0.0060
 Beta2  Fr= 1--      0.9107                 0.1778                 0.1386
 AlphaG Fr= 1--      0.6366                 0.0489                 0.0420
 Gamma2 Fr= 1--     -5.2237                -0.7712                 0.8807
 Delta2 Fr= 1--     -0.3701                -0.1378                 0.0582
 Raman1 Fr= 1--      33.266                  5.894                  4.967
 ROA1   Fr= 1--    -513.322                -78.447                 86.413
 CID1   Fr= 1--     -15.431                -13.309                 17.399
 Raman2 Fr= 1--      10.929                  2.133                  1.663
 ROA2   Fr= 1--    -122.409                -17.407                 20.673
 CID2   Fr= 1--     -11.201                 -8.160                 12.431
 Raman3 Fr= 1--      21.857                  4.266                  3.326
 ROA3   Fr= 1--    -513.322                -78.447                 86.413
 CID3   Fr= 1--     -23.485                -18.387                 25.981
 RC180  Fr= 1--       0.314                  0.448                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.03     0.01  -0.03   0.02    -0.05   0.05  -0.03
     2   6     0.03   0.05   0.10     0.00  -0.02   0.02    -0.04   0.14   0.01
     3   6    -0.08  -0.06  -0.06    -0.04  -0.05  -0.01     0.09   0.15  -0.05
     4   6     0.01   0.04  -0.02     0.01   0.02  -0.02    -0.01   0.01   0.00
     5   6     0.02  -0.00  -0.03     0.01   0.02  -0.02     0.03  -0.11   0.02
     6   6     0.03  -0.00   0.01     0.03   0.01  -0.01    -0.10  -0.10   0.07
     7   6    -0.07  -0.07  -0.04    -0.05  -0.01   0.01     0.14  -0.02  -0.08
     8   6     0.09   0.06   0.13     0.02   0.04   0.04    -0.02  -0.13   0.01
     9   6     0.09   0.11   0.16     0.02   0.02   0.02    -0.10   0.00   0.06
    10   6    -0.00   0.06   0.03    -0.01  -0.00  -0.02     0.05   0.07  -0.01
    11   6    -0.02   0.05  -0.02     0.03  -0.04  -0.03     0.01  -0.00  -0.02
    12   6    -0.10   0.09  -0.14    -0.13   0.04   0.00    -0.05   0.02  -0.01
    13   6    -0.06   0.11  -0.08    -0.10  -0.08  -0.06    -0.05  -0.01  -0.03
    14   6     0.00  -0.01   0.10     0.05  -0.11  -0.09     0.00  -0.04  -0.01
    15   6    -0.02  -0.08   0.11     0.16   0.00  -0.06     0.02  -0.01  -0.00
    16   6    -0.13   0.02  -0.11     0.00   0.13   0.01    -0.03   0.03  -0.01
    17   6     0.05   0.07   0.02    -0.05  -0.06  -0.01     0.00   0.00  -0.00
    18   6     0.05   0.01  -0.08    -0.07   0.05   0.15     0.00   0.02   0.01
    19   6     0.02  -0.05  -0.04     0.06   0.09   0.07     0.02   0.01   0.00
    20   6    -0.00  -0.04  -0.06    -0.02  -0.01  -0.00    -0.01  -0.03  -0.01
    21  40     0.01  -0.05  -0.00     0.01  -0.01   0.01     0.00  -0.01   0.01
    22  17    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    23  17     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.14   0.07   0.19     0.02   0.06   0.04    -0.01  -0.30   0.06
    25   1    -0.10  -0.10  -0.09    -0.08  -0.01   0.01     0.27  -0.09  -0.15
    26   1    -0.02  -0.20   0.07     0.02  -0.07   0.02    -0.08   0.07  -0.02
    27   1    -0.02  -0.04  -0.13    -0.02  -0.03  -0.01     0.12   0.05  -0.07
    28   1     0.01   0.03   0.01    -0.01   0.02  -0.04     0.04  -0.01   0.19
    29   1     0.04  -0.03   0.02     0.06   0.02  -0.03    -0.22  -0.17   0.17
    30   1     0.02   0.02  -0.04    -0.00   0.04  -0.03     0.15  -0.21  -0.01
    31   1     0.01  -0.03  -0.02    -0.00  -0.01  -0.03     0.09   0.02   0.13
    32   1    -0.01   0.23  -0.03     0.00   0.09  -0.02    -0.00  -0.02   0.00
    33   1     0.16  -0.01   0.10     0.09  -0.01   0.01    -0.17   0.05   0.09
    34   1    -0.06   0.12  -0.04    -0.05   0.03  -0.03     0.25  -0.08  -0.18
    35   1    -0.01   0.07   0.01    -0.04  -0.02  -0.05     0.14   0.36   0.02
    36   1    -0.01   0.08   0.00     0.11  -0.29   0.00     0.04  -0.11  -0.01
    37   1     0.01   0.09   0.05     0.23   0.11  -0.16     0.09   0.05  -0.08
    38   1    -0.19  -0.01  -0.19     0.02   0.28   0.06    -0.03   0.06  -0.01
    39   1    -0.04  -0.14   0.18     0.32   0.04  -0.09     0.06  -0.01  -0.00
    40   1     0.11   0.20   0.23    -0.09  -0.11  -0.06     0.01   0.02   0.02
    41   1     0.13  -0.17   0.07     0.04   0.04  -0.12     0.06  -0.02  -0.03
    42   1     0.04  -0.05  -0.05    -0.11   0.17  -0.02    -0.01   0.03  -0.02
    43   1     0.09   0.01  -0.11    -0.18   0.11   0.28    -0.01   0.03   0.04
    44   1     0.06  -0.05   0.07    -0.06   0.16  -0.10    -0.00   0.04  -0.01
    45   1    -0.05  -0.11  -0.05     0.23   0.19   0.07     0.06   0.02  -0.00
    46   1    -0.08  -0.14  -0.17    -0.08  -0.07  -0.07    -0.03  -0.05  -0.04
    47   1     0.05   0.13  -0.15    -0.17   0.09   0.02    -0.04   0.02  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    449.0353               456.1609               473.0541
 Red. masses --      3.5708                 4.2706                 3.7287
 Frc consts  --      0.4242                 0.5236                 0.4916
 IR Inten    --      1.4325                 1.9354                10.8301
 RamAct Fr= 1--      1.9637                 2.5375                 0.4567
  Dep-P Fr= 1--      0.2923                 0.5573                 0.7440
  Dep-U Fr= 1--      0.4524                 0.7158                 0.8532
 Alpha2 Fr= 1--      0.0206                 0.0093                 0.0000
 Beta2  Fr= 1--      0.1481                 0.3027                 0.0649
 AlphaG Fr= 1--     -0.1172                 0.0763                -0.0052
 Gamma2 Fr= 1--     -1.0763                 1.6208                -0.7817
 Delta2 Fr= 1--     -1.0027                 0.5490                -0.5746
 Raman1 Fr= 1--       7.855                 10.150                  1.827
 ROA1   Fr= 1--    -135.410                173.164                -93.436
 CID1   Fr= 1--     -17.239                 17.060                -51.145
 Raman2 Fr= 1--       1.777                  3.632                  0.779
 ROA2   Fr= 1--     -17.809                 34.507                -14.165
 CID2   Fr= 1--     -10.024                  9.500                -18.174
 Raman3 Fr= 1--       3.553                  7.265                  1.559
 ROA3   Fr= 1--    -135.410                173.164                -93.436
 CID3   Fr= 1--     -38.108                 23.835                -59.943
 RC180  Fr= 1--      -0.095                  0.432                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10   0.10     0.03  -0.07   0.05     0.07  -0.05  -0.01
     2   6    -0.08  -0.00   0.08    -0.07  -0.04  -0.00    -0.10  -0.05  -0.09
     3   6    -0.05  -0.03  -0.02    -0.05  -0.01   0.01    -0.06   0.04   0.02
     4   6     0.07   0.07  -0.11     0.02   0.06  -0.07    -0.05   0.09  -0.06
     5   6     0.14  -0.06  -0.14     0.09  -0.01  -0.09     0.04   0.02  -0.05
     6   6     0.05  -0.07   0.02     0.07  -0.03  -0.01     0.12  -0.00  -0.03
     7   6    -0.02  -0.01   0.04    -0.02   0.04   0.07    -0.01   0.08   0.09
     8   6    -0.02   0.01   0.10    -0.06   0.01   0.03    -0.12  -0.02  -0.03
     9   6    -0.10   0.04   0.07    -0.09  -0.02  -0.01    -0.12  -0.08  -0.06
    10   6    -0.05   0.09  -0.06    -0.04   0.01  -0.03     0.07   0.00   0.12
    11   6    -0.04   0.06  -0.08    -0.04  -0.11  -0.00     0.09   0.05   0.12
    12   6     0.09  -0.01  -0.01    -0.07  -0.08   0.14    -0.02   0.07  -0.02
    13   6     0.11  -0.03   0.05    -0.11   0.02   0.05     0.00  -0.03  -0.06
    14   6     0.04   0.04  -0.00    -0.08   0.03  -0.03    -0.01  -0.09   0.03
    15   6     0.02   0.01  -0.02    -0.10   0.06  -0.01     0.04  -0.04   0.04
    16   6     0.08  -0.02  -0.01    -0.02  -0.04   0.15    -0.06   0.06  -0.05
    17   6    -0.04  -0.07  -0.02     0.02   0.15   0.07     0.07  -0.03  -0.07
    18   6    -0.06  -0.05   0.03     0.10   0.08  -0.03     0.05   0.00  -0.08
    19   6    -0.09   0.01   0.02     0.20  -0.03  -0.06    -0.11  -0.01   0.01
    20   6     0.00   0.09   0.06     0.06  -0.11  -0.11    -0.10  -0.05   0.03
    21  40    -0.01   0.00  -0.02     0.01   0.01  -0.01     0.02   0.00   0.02
    22  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.05   0.14    -0.07   0.00   0.02    -0.16  -0.01  -0.08
    25   1    -0.02   0.00   0.05    -0.02   0.07   0.11     0.04   0.12   0.14
    26   1     0.00  -0.11   0.10     0.07  -0.05   0.03     0.16  -0.02  -0.05
    27   1     0.04  -0.10   0.06     0.03  -0.07   0.06     0.05  -0.05   0.01
    28   1     0.01   0.14   0.07     0.02   0.08  -0.01     0.07   0.02  -0.07
    29   1     0.02  -0.18   0.08     0.09  -0.08   0.01     0.17  -0.01  -0.05
    30   1     0.27  -0.10  -0.19     0.14  -0.01  -0.13     0.05   0.06  -0.08
    31   1     0.17  -0.01   0.02     0.08  -0.03   0.00    -0.00  -0.09   0.02
    32   1     0.10   0.29  -0.15     0.04   0.15  -0.10    -0.04   0.08  -0.06
    33   1     0.20   0.02   0.09     0.10   0.04   0.01    -0.03   0.08  -0.05
    34   1     0.01   0.04  -0.09     0.04  -0.04  -0.13     0.24  -0.15   0.10
    35   1    -0.05   0.20  -0.10     0.01   0.12  -0.01     0.15   0.14   0.18
    36   1    -0.09   0.18  -0.10    -0.01  -0.28  -0.01     0.18  -0.06   0.19
    37   1    -0.17  -0.05  -0.05     0.03  -0.08  -0.15     0.22   0.15   0.04
    38   1     0.09  -0.05  -0.01     0.01  -0.00   0.20    -0.09   0.06  -0.09
    39   1    -0.01   0.02  -0.03    -0.15   0.08  -0.04     0.12  -0.04   0.04
    40   1    -0.09  -0.16  -0.13     0.07   0.20   0.11     0.14   0.04   0.00
    41   1    -0.14   0.06  -0.01     0.09   0.07   0.06     0.11  -0.14  -0.05
    42   1    -0.00   0.00   0.06    -0.05  -0.04  -0.12     0.14   0.00   0.05
    43   1    -0.08  -0.09   0.01     0.13   0.14   0.02     0.10  -0.05  -0.17
    44   1    -0.04  -0.07  -0.01     0.11   0.09  -0.04    -0.05  -0.01   0.15
    45   1    -0.14   0.02   0.06     0.29  -0.03  -0.12    -0.20  -0.07   0.01
    46   1     0.03   0.15   0.14     0.11  -0.16  -0.20    -0.15  -0.03   0.08
    47   1     0.04  -0.03   0.09     0.00  -0.00  -0.13    -0.07  -0.08   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --    499.6468               519.7210               576.4914
 Red. masses --      2.7268                 2.6987                 2.8733
 Frc consts  --      0.4011                 0.4295                 0.5626
 IR Inten    --      0.2171                 1.1899                 0.4960
 RamAct Fr= 1--      1.4401                 1.0647                 5.5042
  Dep-P Fr= 1--      0.7421                 0.3051                 0.0617
  Dep-U Fr= 1--      0.8519                 0.4676                 0.1163
 Alpha2 Fr= 1--      0.0002                 0.0108                 0.1057
 Beta2  Fr= 1--      0.2045                 0.0830                 0.1067
 AlphaG Fr= 1--     -0.0065                 0.0288                -0.2531
 Gamma2 Fr= 1--     -0.1927                -0.5265                -0.5961
 Delta2 Fr= 1--      0.3140                 0.0791                 0.3554
 Raman1 Fr= 1--       5.761                  4.259                 22.017
 ROA1   Fr= 1--      -8.451                -48.016                -45.854
 CID1   Fr= 1--      -1.467                -11.274                 -2.083
 Raman2 Fr= 1--       2.454                  0.996                  1.280
 ROA2   Fr= 1--      -7.137                -13.270                -17.150
 CID2   Fr= 1--      -2.909                -13.328                -13.398
 Raman3 Fr= 1--       4.908                  1.991                  2.560
 ROA3   Fr= 1--      -8.451                -48.016                -45.854
 CID3   Fr= 1--      -1.722                -24.114                -17.911
 RC180  Fr= 1--       0.704                 -0.065                 -0.767
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02  -0.05     0.02  -0.01   0.00    -0.00  -0.03   0.03
     2   6    -0.03   0.04  -0.02     0.01   0.02   0.03    -0.04  -0.03  -0.01
     3   6    -0.07   0.05  -0.05    -0.01  -0.01  -0.04     0.02  -0.03  -0.01
     4   6    -0.12   0.08   0.01    -0.03  -0.00   0.03     0.04  -0.05   0.03
     5   6    -0.07   0.05   0.06    -0.05   0.03   0.06    -0.01   0.02   0.03
     6   6     0.15   0.03  -0.03     0.04   0.02  -0.01     0.03   0.02   0.00
     7   6     0.04  -0.04   0.01     0.03  -0.07  -0.03     0.03  -0.03  -0.02
     8   6     0.02  -0.08   0.11     0.07  -0.04   0.08     0.03  -0.03   0.01
     9   6    -0.08  -0.07   0.04    -0.03  -0.01   0.02    -0.05   0.02  -0.01
    10   6     0.03  -0.05  -0.02    -0.04   0.00  -0.10    -0.02   0.14   0.03
    11   6    -0.02  -0.03  -0.01    -0.04  -0.00  -0.10     0.05   0.21  -0.04
    12   6     0.03  -0.02  -0.05    -0.05   0.02   0.07     0.02   0.09  -0.04
    13   6     0.01   0.04   0.00     0.03  -0.07   0.07     0.04  -0.01  -0.01
    14   6     0.02   0.06  -0.00    -0.01  -0.03  -0.01    -0.06  -0.05   0.01
    15   6    -0.02  -0.02  -0.01     0.05   0.08   0.01    -0.12   0.02  -0.03
    16   6     0.01  -0.05  -0.05     0.04   0.09   0.12     0.04  -0.09   0.09
    17   6    -0.06  -0.00   0.04     0.07   0.02  -0.03     0.03  -0.05  -0.03
    18   6    -0.06  -0.02   0.07     0.08   0.02  -0.10     0.00  -0.00   0.03
    19   6     0.05   0.00   0.00    -0.10  -0.00  -0.00     0.04  -0.02   0.01
    20   6     0.07   0.06  -0.01    -0.07  -0.03   0.02    -0.07  -0.13  -0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.04  -0.12   0.14     0.11  -0.09   0.13     0.05  -0.09   0.04
    25   1     0.17  -0.08  -0.03     0.07  -0.10  -0.07     0.03  -0.03  -0.02
    26   1     0.16  -0.21  -0.03     0.04  -0.14   0.02     0.04  -0.06   0.02
    27   1     0.00  -0.01  -0.23    -0.04   0.00  -0.12    -0.05  -0.03   0.01
    28   1     0.04  -0.14  -0.16    -0.04  -0.09  -0.10    -0.08  -0.06  -0.10
    29   1     0.28   0.13  -0.16     0.14   0.10  -0.10     0.13   0.09  -0.09
    30   1    -0.19   0.17   0.08    -0.15   0.10   0.08    -0.16   0.10   0.08
    31   1    -0.16  -0.17   0.00    -0.09  -0.07  -0.05    -0.05  -0.06  -0.14
    32   1    -0.18   0.02   0.07    -0.07  -0.04   0.06     0.02  -0.13   0.06
    33   1    -0.15   0.09  -0.05    -0.04   0.00  -0.03     0.01  -0.04  -0.07
    34   1     0.17  -0.16  -0.12    -0.04  -0.00  -0.10    -0.01   0.11   0.18
    35   1     0.09   0.14   0.01    -0.07   0.05  -0.15    -0.08   0.08  -0.03
    36   1    -0.08   0.09  -0.04    -0.04  -0.14  -0.14     0.08   0.19  -0.00
    37   1    -0.10  -0.08   0.09     0.02   0.04  -0.15     0.06   0.21  -0.08
    38   1     0.01  -0.08  -0.06     0.05   0.19   0.16     0.06  -0.23   0.09
    39   1    -0.09  -0.04   0.01     0.13   0.14  -0.06    -0.14   0.05  -0.07
    40   1    -0.12  -0.05   0.01     0.17   0.06  -0.06    -0.04  -0.12  -0.11
    41   1    -0.07   0.07   0.02     0.04  -0.05   0.02    -0.00   0.07  -0.06
    42   1    -0.11   0.01  -0.04     0.18  -0.07   0.11    -0.05   0.14  -0.17
    43   1    -0.12   0.01   0.14     0.20  -0.05  -0.26    -0.13   0.08   0.20
    44   1     0.01  -0.01  -0.12     0.03  -0.05   0.21    -0.15   0.18  -0.10
    45   1     0.12   0.06   0.01    -0.29  -0.11  -0.00     0.30   0.08  -0.04
    46   1     0.08   0.03  -0.06    -0.06   0.07   0.16    -0.10  -0.22  -0.14
    47   1     0.06   0.09  -0.02    -0.03  -0.18   0.07    -0.13   0.04  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    602.1491               620.6774               636.4830
 Red. masses --      2.8842                 3.7659                 3.7543
 Frc consts  --      0.6161                 0.8548                 0.8961
 IR Inten    --      0.1200                 0.7360                 0.5142
 RamAct Fr= 1--      1.8868                 0.6225                 1.1207
  Dep-P Fr= 1--      0.3846                 0.7488                 0.5649
  Dep-U Fr= 1--      0.5555                 0.8564                 0.7220
 Alpha2 Fr= 1--      0.0148                 0.0000                 0.0039
 Beta2  Fr= 1--      0.1747                 0.0888                 0.1349
 AlphaG Fr= 1--     -0.0786                -0.0026                 0.0193
 Gamma2 Fr= 1--     -1.4034                 1.5962                -1.5587
 Delta2 Fr= 1--      0.1545                -0.3000                -1.3400
 Raman1 Fr= 1--       7.547                  2.490                  4.483
 ROA1   Fr= 1--    -129.786                143.636               -192.514
 CID1   Fr= 1--     -17.197                 57.689                -42.944
 Raman2 Fr= 1--       2.096                  1.066                  1.618
 ROA2   Fr= 1--     -34.918                 40.709                -26.689
 CID2   Fr= 1--     -16.658                 38.186                -16.491
 Raman3 Fr= 1--       4.192                  2.132                  3.237
 ROA3   Fr= 1--    -129.786                143.636               -192.514
 CID3   Fr= 1--     -30.958                 67.366                -59.478
 RC180  Fr= 1--       0.111                  0.713                  0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.03    -0.01   0.00   0.05     0.00  -0.00  -0.00
     2   6    -0.11  -0.08  -0.07     0.06   0.06   0.08    -0.02  -0.01  -0.02
     3   6     0.05  -0.04   0.00    -0.15  -0.15  -0.16    -0.00  -0.01   0.00
     4   6     0.10  -0.10   0.04    -0.07  -0.01  -0.03     0.00  -0.00   0.00
     5   6     0.00   0.02   0.04    -0.04   0.01   0.03     0.00   0.00   0.00
     6   6     0.04   0.02   0.00    -0.02   0.01   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.01  -0.03     0.21   0.10   0.15     0.01   0.00   0.01
     8   6    -0.02  -0.03  -0.05    -0.09  -0.15  -0.16    -0.02  -0.02  -0.02
     9   6    -0.03   0.10   0.04     0.12   0.07   0.04     0.02   0.03   0.03
    10   6    -0.07   0.19   0.04     0.01   0.03  -0.02    -0.01   0.00  -0.01
    11   6    -0.04  -0.05   0.01     0.00   0.01  -0.03    -0.02  -0.06   0.00
    12   6     0.04  -0.08   0.06     0.02  -0.01   0.02     0.01  -0.03  -0.01
    13   6    -0.04   0.01  -0.02    -0.00  -0.00   0.00    -0.09   0.11  -0.13
    14   6     0.02   0.03  -0.01    -0.02   0.00  -0.01     0.20  -0.17   0.21
    15   6     0.06  -0.05   0.02     0.01  -0.00   0.01    -0.05   0.13  -0.18
    16   6    -0.06   0.03  -0.09    -0.01   0.01  -0.01     0.13  -0.06   0.02
    17   6    -0.02   0.02   0.01     0.00   0.00   0.00    -0.05   0.05   0.01
    18   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.00  -0.00
    19   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.07   0.02   0.02
    20   6     0.05   0.07   0.00    -0.01  -0.02  -0.00     0.00  -0.02   0.07
    21  40    -0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.13  -0.01    -0.17  -0.24  -0.24    -0.03  -0.03  -0.02
    25   1     0.06   0.02   0.02     0.37   0.20   0.29     0.02   0.01   0.02
    26   1     0.09   0.00  -0.02    -0.05  -0.14   0.10     0.02   0.02  -0.02
    27   1    -0.06  -0.04   0.09    -0.06   0.01  -0.08    -0.00  -0.01   0.02
    28   1    -0.12  -0.09  -0.14    -0.07  -0.05  -0.05    -0.00  -0.00  -0.01
    29   1     0.19   0.14  -0.14     0.06   0.04  -0.04     0.01   0.01  -0.01
    30   1    -0.25   0.16   0.13     0.05  -0.00  -0.02    -0.01   0.01   0.00
    31   1    -0.06  -0.10  -0.27    -0.02   0.04   0.12    -0.00  -0.01  -0.01
    32   1     0.07  -0.26   0.08    -0.15   0.33   0.01     0.00  -0.01   0.00
    33   1     0.03  -0.07  -0.14     0.22  -0.10   0.14     0.00  -0.00  -0.01
    34   1    -0.02   0.17  -0.14    -0.12   0.13   0.05    -0.02   0.02  -0.07
    35   1    -0.01   0.30   0.08    -0.05  -0.10  -0.06     0.00   0.03   0.00
    36   1     0.05  -0.17   0.10    -0.04   0.05  -0.07    -0.03  -0.02  -0.00
    37   1    -0.03  -0.08  -0.25    -0.05  -0.02   0.01    -0.05  -0.09  -0.01
    38   1    -0.08   0.09  -0.11    -0.02   0.02  -0.02     0.18  -0.07   0.09
    39   1     0.07  -0.09   0.08     0.04  -0.01   0.03    -0.16   0.24  -0.32
    40   1    -0.00   0.06   0.07     0.00   0.00  -0.00     0.01   0.20   0.26
    41   1     0.02  -0.05   0.01     0.00   0.00  -0.00     0.07  -0.21   0.04
    42   1    -0.00  -0.06   0.07    -0.00   0.01  -0.01     0.03  -0.11   0.19
    43   1     0.05  -0.03  -0.06    -0.00   0.01   0.01     0.10  -0.06  -0.16
    44   1     0.07  -0.08   0.01    -0.02   0.02  -0.00    -0.04  -0.02   0.03
    45   1    -0.09  -0.02   0.02     0.03   0.01  -0.01    -0.09  -0.03  -0.00
    46   1     0.07   0.10   0.04     0.00  -0.01  -0.00    -0.31  -0.21  -0.09
    47   1     0.06  -0.00   0.02    -0.03  -0.02   0.00     0.07   0.29  -0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --    656.9391               669.6875               689.9996
 Red. masses --      3.3569                 3.8625                 3.9297
 Frc consts  --      0.8536                 1.0206                 1.1023
 IR Inten    --      2.0101                 1.5602                 0.0628
 RamAct Fr= 1--      5.7304                 2.9984                21.2616
  Dep-P Fr= 1--      0.3306                 0.3262                 0.0439
  Dep-U Fr= 1--      0.4969                 0.4920                 0.0841
 Alpha2 Fr= 1--      0.0535                 0.0284                 0.4261
 Beta2  Fr= 1--      0.4746                 0.2459                 0.2980
 AlphaG Fr= 1--     -0.3848                 0.1852                -0.4495
 Gamma2 Fr= 1--     -2.4540                -2.0995                -4.0385
 Delta2 Fr= 1--      0.5097                -1.1384                -0.3007
 Raman1 Fr= 1--      22.922                 11.994                 85.046
 ROA1   Fr= 1--    -219.278               -237.977               -397.316
 CID1   Fr= 1--      -9.566                -19.842                 -4.672
 Raman2 Fr= 1--       5.695                  2.950                  3.576
 ROA2   Fr= 1--     -62.974                -41.280                -94.518
 CID2   Fr= 1--     -11.058                -13.992                -26.432
 Raman3 Fr= 1--      11.390                  5.900                  7.152
 ROA3   Fr= 1--    -219.278               -237.977               -397.316
 CID3   Fr= 1--     -19.253                -40.332                -55.554
 RC180  Fr= 1--      -0.006                 -0.016                 -0.832
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.03     0.04   0.03  -0.15    -0.06  -0.19   0.23
     2   6     0.00  -0.00   0.01    -0.11  -0.11  -0.15    -0.08  -0.09  -0.04
     3   6     0.01   0.04   0.01     0.02   0.05   0.15     0.06   0.13   0.04
     4   6    -0.03   0.05  -0.01    -0.04   0.06   0.00    -0.11   0.19  -0.05
     5   6    -0.01   0.00  -0.00     0.00   0.01  -0.02    -0.03   0.03   0.02
     6   6    -0.00  -0.01   0.01     0.05  -0.01  -0.05    -0.04  -0.04   0.05
     7   6    -0.01  -0.03  -0.03    -0.01  -0.09   0.09     0.07  -0.03  -0.10
     8   6     0.04   0.01   0.02    -0.09  -0.10   0.01     0.09  -0.00  -0.12
     9   6    -0.03  -0.03  -0.04     0.18   0.11   0.22     0.12   0.06  -0.02
    10   6     0.02  -0.01  -0.05     0.02   0.01  -0.04     0.04  -0.02  -0.01
    11   6     0.06   0.04  -0.05    -0.00   0.00  -0.08     0.00  -0.01   0.01
    12   6     0.24  -0.11   0.16    -0.02   0.02  -0.04    -0.05   0.02  -0.00
    13   6    -0.06   0.06  -0.06     0.03  -0.02   0.04    -0.01  -0.01  -0.01
    14   6    -0.05  -0.01   0.01    -0.04   0.01  -0.03     0.01   0.00   0.01
    15   6     0.09   0.03   0.05     0.02   0.02   0.01    -0.03  -0.01  -0.00
    16   6    -0.03   0.11  -0.12     0.03   0.02   0.01    -0.03  -0.02   0.04
    17   6    -0.04   0.07   0.02     0.00   0.02   0.03     0.01  -0.04  -0.03
    18   6    -0.02   0.00   0.03     0.01   0.00   0.00     0.01  -0.00  -0.01
    19   6    -0.02  -0.02   0.02    -0.01  -0.01  -0.00     0.02   0.01  -0.00
    20   6    -0.10  -0.15   0.01    -0.04  -0.05  -0.01     0.03   0.05   0.00
    21  40    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23  17     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.06   0.02   0.05    -0.19  -0.17  -0.10     0.10   0.01  -0.12
    25   1    -0.00  -0.05  -0.06    -0.00  -0.13   0.05     0.12  -0.04  -0.11
    26   1    -0.01  -0.03   0.04     0.11   0.35  -0.25     0.01  -0.14   0.19
    27   1    -0.01  -0.02   0.02     0.12   0.00   0.19    -0.12  -0.19   0.27
    28   1    -0.03   0.01  -0.01     0.26   0.05   0.11    -0.35  -0.01  -0.14
    29   1     0.02  -0.02  -0.00    -0.15  -0.07   0.10     0.19   0.00  -0.10
    30   1     0.03  -0.01  -0.02     0.07  -0.04  -0.04     0.03   0.04  -0.02
    31   1    -0.01  -0.00   0.06    -0.00  -0.02   0.11    -0.06  -0.03   0.16
    32   1    -0.02   0.02  -0.02     0.03  -0.07  -0.04    -0.09   0.04  -0.05
    33   1    -0.07   0.06   0.00    -0.12   0.09  -0.06    -0.28   0.23  -0.06
    34   1    -0.08   0.04   0.21    -0.18   0.18   0.00    -0.12   0.11   0.07
    35   1    -0.14  -0.17  -0.18    -0.11  -0.09  -0.16    -0.02  -0.23  -0.02
    36   1    -0.10   0.30  -0.17    -0.11   0.13  -0.18    -0.03  -0.01  -0.03
    37   1    -0.23  -0.18   0.10    -0.09  -0.04   0.11     0.02   0.02   0.09
    38   1    -0.09   0.14  -0.20     0.04   0.01   0.03    -0.02  -0.01   0.05
    39   1     0.21   0.00   0.10     0.05   0.01   0.02    -0.05  -0.00  -0.02
    40   1    -0.03   0.14   0.15    -0.01  -0.01  -0.03     0.01  -0.04  -0.03
    41   1     0.03  -0.06   0.03    -0.04   0.07   0.04     0.02  -0.03  -0.04
    42   1    -0.04  -0.05   0.04    -0.01  -0.00  -0.01     0.02   0.04  -0.03
    43   1     0.04   0.04   0.03    -0.00   0.01   0.02    -0.02  -0.00   0.00
    44   1    -0.21   0.18  -0.05    -0.05   0.05   0.01     0.07  -0.05   0.01
    45   1     0.21   0.05  -0.06     0.04   0.01  -0.01    -0.05  -0.01   0.02
    46   1    -0.10  -0.21  -0.08     0.00  -0.03   0.01     0.03   0.06   0.02
    47   1    -0.16  -0.03  -0.02    -0.06  -0.08   0.01     0.05   0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --    696.3668               722.5710               742.3685
 Red. masses --      3.8976                 3.4320                 2.4451
 Frc consts  --      1.1136                 1.0557                 0.7939
 IR Inten    --      0.9322                 0.3531                 0.4257
 RamAct Fr= 1--      6.6055                 6.1165                 1.3675
  Dep-P Fr= 1--      0.1615                 0.2376                 0.6294
  Dep-U Fr= 1--      0.2781                 0.3840                 0.7726
 Alpha2 Fr= 1--      0.0992                 0.0750                 0.0030
 Beta2  Fr= 1--      0.3062                 0.3915                 0.1761
 AlphaG Fr= 1--      0.1463                -0.4178                -0.0120
 Gamma2 Fr= 1--     -0.7939                 0.7108                 0.0764
 Delta2 Fr= 1--     -0.3518                -0.8398                 0.3061
 Raman1 Fr= 1--      26.422                 24.466                  5.470
 ROA1   Fr= 1--     -87.477                 41.362                 17.127
 CID1   Fr= 1--      -3.311                  1.691                  3.131
 Raman2 Fr= 1--       3.674                  4.697                  2.113
 ROA2   Fr= 1--     -16.240                 23.777                 -0.616
 CID2   Fr= 1--      -4.420                  5.062                 -0.291
 Raman3 Fr= 1--       7.348                  9.395                  4.226
 ROA3   Fr= 1--     -87.477                 41.362                 17.127
 CID3   Fr= 1--     -11.904                  4.403                  4.053
 RC180  Fr= 1--      -0.444                 -0.232                  0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.06     0.04   0.02  -0.06     0.03  -0.02  -0.01
     2   6    -0.02   0.00   0.00     0.08  -0.02   0.03     0.07  -0.03   0.02
     3   6     0.01   0.02  -0.03    -0.02  -0.03   0.08    -0.00  -0.03   0.07
     4   6     0.02  -0.01  -0.00    -0.08   0.05  -0.01    -0.07   0.05  -0.02
     5   6     0.01  -0.00   0.01    -0.05   0.02  -0.00    -0.05   0.03   0.00
     6   6    -0.01  -0.01   0.02    -0.01   0.01  -0.03    -0.02   0.00  -0.02
     7   6     0.01   0.04  -0.04     0.00  -0.11   0.08     0.01  -0.09   0.05
     8   6    -0.01   0.03  -0.03     0.09  -0.05  -0.00     0.10  -0.03  -0.06
     9   6    -0.00   0.01  -0.00    -0.02  -0.04  -0.10     0.00  -0.00  -0.09
    10   6     0.02  -0.01   0.05     0.00   0.14   0.03    -0.09   0.09   0.03
    11   6     0.02   0.01   0.02     0.02   0.16  -0.03    -0.09  -0.07   0.03
    12   6    -0.04   0.03  -0.16     0.00  -0.03   0.10     0.01  -0.00  -0.07
    13   6     0.07  -0.05   0.15    -0.05  -0.06   0.01     0.04   0.03   0.01
    14   6    -0.00  -0.05  -0.11     0.06  -0.08  -0.05    -0.03   0.05   0.03
    15   6     0.07  -0.06  -0.10    -0.01  -0.13  -0.10     0.02   0.07   0.04
    16   6     0.11  -0.04  -0.08    -0.10  -0.07   0.01     0.09   0.02  -0.06
    17   6    -0.08   0.23   0.21    -0.07   0.05   0.04     0.03   0.01   0.01
    18   6    -0.05   0.04   0.05    -0.02   0.04   0.00     0.00  -0.02   0.01
    19   6    -0.04  -0.00  -0.02     0.04   0.04  -0.02    -0.04  -0.03   0.01
    20   6    -0.07  -0.12  -0.05     0.07   0.08  -0.02    -0.05  -0.06   0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.01   0.03  -0.01     0.09  -0.02  -0.00     0.11   0.03  -0.07
    25   1     0.03   0.06  -0.03    -0.07  -0.14   0.05    -0.06  -0.08   0.06
    26   1     0.00  -0.08   0.06    -0.04   0.10  -0.04    -0.02   0.06  -0.01
    27   1    -0.04  -0.03   0.00     0.05   0.01   0.04     0.03  -0.02   0.07
    28   1    -0.13  -0.02  -0.06     0.17   0.04   0.10     0.08   0.03   0.06
    29   1     0.09   0.03  -0.05    -0.15  -0.07   0.09    -0.11  -0.05   0.05
    30   1    -0.06   0.04   0.03     0.16  -0.09  -0.07     0.14  -0.07  -0.07
    31   1    -0.00  -0.03  -0.08    -0.01   0.09   0.25    -0.02   0.10   0.24
    32   1    -0.00  -0.04   0.02    -0.02   0.13  -0.06    -0.01   0.12  -0.07
    33   1    -0.01   0.00  -0.03     0.00   0.03   0.07     0.00   0.03   0.05
    34   1     0.06  -0.04   0.00    -0.02   0.12   0.24     0.07  -0.00  -0.31
    35   1     0.06   0.02   0.09    -0.07   0.00  -0.01     0.15   0.28   0.25
    36   1     0.05   0.08   0.08     0.06   0.05  -0.02     0.15  -0.27   0.26
    37   1     0.05   0.04   0.08     0.03   0.15  -0.18     0.07   0.01  -0.34
    38   1     0.16  -0.07  -0.02    -0.10  -0.03   0.01     0.11  -0.04  -0.05
    39   1     0.13  -0.07  -0.08     0.01  -0.11  -0.13     0.00   0.02   0.10
    40   1    -0.01   0.20   0.09     0.05   0.14   0.10    -0.04  -0.05  -0.05
    41   1    -0.19   0.22   0.28     0.01  -0.10   0.05    -0.02   0.10   0.01
    42   1    -0.11  -0.29   0.29    -0.03  -0.17   0.19    -0.00   0.06  -0.07
    43   1     0.18  -0.03  -0.18     0.15  -0.03  -0.18    -0.07   0.01   0.09
    44   1    -0.02   0.01   0.08     0.24  -0.16   0.08    -0.17   0.10  -0.06
    45   1    -0.11  -0.06  -0.04    -0.21  -0.07   0.03     0.12   0.03  -0.03
    46   1    -0.03  -0.03   0.06     0.04   0.13   0.07    -0.02  -0.09  -0.04
    47   1    -0.12  -0.25   0.03     0.05  -0.02   0.03    -0.02  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --    815.4259               818.4872               832.8169
 Red. masses --      1.2205                 1.2175                 1.4886
 Frc consts  --      0.4781                 0.4805                 0.6083
 IR Inten    --     63.3923                49.5596                13.6892
 RamAct Fr= 1--      4.9318                 4.9503                 4.6374
  Dep-P Fr= 1--      0.7456                 0.5445                 0.2568
  Dep-U Fr= 1--      0.8543                 0.7051                 0.4086
 Alpha2 Fr= 1--      0.0004                 0.0195                 0.0539
 Beta2  Fr= 1--      0.7022                 0.5817                 0.3158
 AlphaG Fr= 1--     -0.0041                -0.0477                 0.0076
 Gamma2 Fr= 1--     -3.3179                -1.5404                 1.9976
 Delta2 Fr= 1--     -0.9211                -0.1632                 0.5377
 Raman1 Fr= 1--      19.727                 19.801                 18.550
 ROA1   Fr= 1--    -347.988               -153.103                208.973
 CID1   Fr= 1--     -17.640                 -7.732                 11.266
 Raman2 Fr= 1--       8.426                  6.981                  3.790
 ROA2   Fr= 1--     -72.260                -35.665                 43.640
 CID2   Fr= 1--      -8.576                 -5.109                 11.515
 Raman3 Fr= 1--      16.853                 13.961                  7.580
 ROA3   Fr= 1--    -347.988               -153.103                208.973
 CID3   Fr= 1--     -20.649                -10.966                 27.571
 RC180  Fr= 1--       0.709                  0.410                 -0.183
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.01   0.09   0.02
     2   6    -0.00   0.00   0.00     0.02   0.01   0.03    -0.04  -0.02  -0.04
     3   6     0.00   0.00   0.00    -0.02  -0.00  -0.00     0.05   0.02   0.06
     4   6    -0.00  -0.00  -0.00     0.01   0.03   0.01    -0.04  -0.09  -0.01
     5   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.04  -0.05  -0.03
     6   6    -0.00   0.00   0.00     0.00  -0.01  -0.02     0.02   0.06   0.04
     7   6    -0.00  -0.00  -0.00    -0.05  -0.04  -0.04    -0.01  -0.02  -0.02
     8   6    -0.00   0.00  -0.00    -0.06  -0.05  -0.06    -0.03  -0.02  -0.03
     9   6    -0.00   0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
    10   6     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.01   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.01  -0.01
    12   6    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.01  -0.02   0.02     0.00  -0.00   0.00    -0.01   0.00  -0.00
    14   6    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    15   6    -0.04   0.03  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
    16   6    -0.06   0.05  -0.06     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6    -0.01   0.00  -0.02    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   6     0.01  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.01
    20   6     0.01   0.01   0.03     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.01   0.01   0.02     0.42   0.34   0.44     0.24   0.20   0.26
    25   1     0.01   0.01   0.01     0.38   0.29   0.40     0.04   0.02   0.04
    26   1     0.02  -0.01  -0.01    -0.06   0.08  -0.01     0.19  -0.24   0.02
    27   1    -0.01   0.00  -0.02     0.07  -0.03   0.08    -0.23   0.11  -0.24
    28   1    -0.01  -0.01  -0.01     0.07   0.06   0.05    -0.13  -0.10  -0.12
    29   1     0.01   0.00  -0.01    -0.10  -0.03   0.05     0.28   0.03  -0.10
    30   1     0.01  -0.00  -0.01    -0.07   0.01   0.06     0.25  -0.08  -0.20
    31   1     0.00   0.01   0.01    -0.01  -0.05  -0.07     0.04   0.12   0.22
    32   1     0.01   0.01  -0.01    -0.03  -0.10   0.06     0.12   0.24  -0.17
    33   1     0.00  -0.01   0.01    -0.05   0.06  -0.12     0.07  -0.14   0.35
    34   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.02
    35   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    36   1    -0.01   0.00  -0.01     0.00  -0.00  -0.00    -0.02   0.01  -0.03
    37   1     0.00   0.01   0.01     0.00   0.00  -0.01    -0.01  -0.02   0.02
    38   1     0.44  -0.38   0.52    -0.02   0.01  -0.02     0.00   0.01  -0.00
    39   1     0.32  -0.27   0.36    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    40   1     0.06   0.05   0.02     0.01   0.01  -0.00    -0.03  -0.03  -0.01
    41   1    -0.01  -0.10   0.02     0.00  -0.02   0.00     0.00   0.04  -0.01
    42   1     0.02  -0.03   0.04     0.00  -0.00   0.01    -0.00   0.02  -0.03
    43   1     0.06   0.00  -0.07     0.01   0.00  -0.01    -0.03   0.00   0.03
    44   1    -0.03   0.03  -0.02    -0.01   0.00  -0.00     0.02  -0.01   0.02
    45   1     0.08  -0.01  -0.03     0.01   0.00  -0.00    -0.04   0.00   0.01
    46   1    -0.00  -0.07  -0.07     0.00  -0.00  -0.01    -0.01   0.03   0.03
    47   1    -0.03   0.14  -0.00    -0.00   0.01  -0.00     0.01  -0.05  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    835.4440               864.3253               864.9845
 Red. masses --      1.4984                 2.3770                 2.3835
 Frc consts  --      0.6162                 1.0463                 1.0507
 IR Inten    --      3.6792                 0.2501                 3.0166
 RamAct Fr= 1--      3.0386                 3.6984                 1.0109
  Dep-P Fr= 1--      0.0893                 0.0522                 0.5783
  Dep-U Fr= 1--      0.1640                 0.0992                 0.7328
 Alpha2 Fr= 1--      0.0546                 0.0727                 0.0033
 Beta2  Fr= 1--      0.0831                 0.0612                 0.1235
 AlphaG Fr= 1--     -0.0741                 0.0140                 0.0080
 Gamma2 Fr= 1--     -0.5110                -2.0298                 2.4176
 Delta2 Fr= 1--     -0.0367                -1.2565                 1.4667
 Raman1 Fr= 1--      12.154                 14.794                  4.044
 ROA1   Fr= 1--     -50.234               -235.066                279.020
 CID1   Fr= 1--      -4.133                -15.889                 69.000
 Raman2 Fr= 1--       0.997                  0.734                  1.482
 ROA2   Fr= 1--     -11.972                -38.662                 46.288
 CID2   Fr= 1--     -12.010                -52.672                 31.241
 Raman3 Fr= 1--       1.994                  1.468                  2.963
 ROA3   Fr= 1--     -50.234               -235.066                279.020
 CID3   Fr= 1--     -25.198               -160.122                 94.160
 RC180  Fr= 1--      -0.672                 -0.802                  0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.07   0.03   0.02     0.10  -0.03  -0.03
     2   6     0.00   0.00   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.02
     3   6    -0.01  -0.00  -0.01    -0.01   0.02  -0.00     0.02  -0.02  -0.00
     4   6     0.00   0.01   0.00    -0.05  -0.01   0.06     0.07   0.02  -0.08
     5   6     0.01   0.01   0.00     0.06  -0.09  -0.05    -0.08   0.12   0.06
     6   6    -0.00  -0.01  -0.01     0.07   0.08  -0.04    -0.10  -0.11   0.06
     7   6    -0.00  -0.00   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.00
     8   6     0.00  -0.00   0.00     0.03   0.00  -0.01    -0.05   0.00   0.02
     9   6    -0.01  -0.00  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.02
    10   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    11   6     0.01  -0.00   0.00    -0.01   0.01   0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01   0.02    -0.01   0.00   0.02    -0.00   0.00   0.01
    13   6    -0.04   0.05  -0.04     0.01  -0.02  -0.02     0.00  -0.01  -0.01
    14   6     0.03  -0.05   0.05     0.01   0.02   0.00     0.01   0.01   0.00
    15   6    -0.01   0.02  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    16   6    -0.03   0.02  -0.03    -0.04  -0.00   0.02    -0.03   0.00   0.02
    17   6     0.05   0.01   0.07     0.09   0.04  -0.05     0.06   0.03  -0.04
    18   6     0.06  -0.02   0.05    -0.04   0.04   0.15    -0.03   0.03   0.11
    19   6    -0.02   0.02  -0.07    -0.15  -0.05  -0.04    -0.10  -0.04  -0.03
    20   6    -0.03  -0.01  -0.09     0.09  -0.03  -0.07     0.06  -0.02  -0.05
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    23  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.05  -0.06  -0.09     0.04   0.06   0.12
    25   1     0.01   0.01   0.02     0.07   0.02   0.03    -0.06  -0.00  -0.03
    26   1    -0.02   0.03  -0.00    -0.11  -0.00   0.04     0.16  -0.01  -0.06
    27   1     0.03  -0.01   0.02    -0.22   0.03   0.04     0.29  -0.04  -0.06
    28   1     0.02   0.01   0.01     0.10   0.26   0.04    -0.16  -0.37  -0.07
    29   1    -0.04  -0.01   0.01    -0.03   0.02   0.05     0.06  -0.02  -0.08
    30   1    -0.03   0.01   0.02    -0.06  -0.05   0.01     0.08   0.07  -0.02
    31   1    -0.00  -0.01  -0.03    -0.00  -0.24  -0.09     0.00   0.33   0.13
    32   1    -0.01  -0.03   0.02    -0.09  -0.01   0.10     0.13   0.02  -0.14
    33   1    -0.01   0.02  -0.04    -0.15   0.00   0.14     0.21  -0.01  -0.19
    34   1    -0.02   0.02   0.04    -0.02   0.01   0.02     0.01  -0.02   0.01
    35   1    -0.02  -0.02  -0.02     0.01  -0.04   0.01    -0.01   0.01  -0.02
    36   1    -0.02   0.03  -0.02     0.01  -0.05   0.00    -0.01   0.01  -0.02
    37   1    -0.03  -0.03   0.01     0.03   0.04  -0.03    -0.00   0.01   0.02
    38   1     0.17  -0.17   0.20     0.01  -0.04   0.07     0.01  -0.04   0.07
    39   1     0.07  -0.03   0.07    -0.04  -0.01   0.01    -0.06   0.02  -0.04
    40   1    -0.23  -0.21  -0.07     0.16   0.07  -0.08     0.12   0.05  -0.06
    41   1     0.05   0.36  -0.07     0.23   0.07  -0.15     0.17   0.04  -0.11
    42   1    -0.04   0.13  -0.22     0.11   0.04   0.37     0.08   0.03   0.27
    43   1    -0.23  -0.03   0.22     0.11   0.00   0.01     0.08   0.01   0.01
    44   1     0.17  -0.11   0.14    -0.25  -0.05  -0.28    -0.18  -0.04  -0.21
    45   1    -0.31   0.01   0.10     0.05   0.02  -0.08     0.03   0.02  -0.05
    46   1    -0.09   0.20   0.24     0.16  -0.02  -0.07     0.12  -0.01  -0.05
    47   1     0.13  -0.36  -0.02     0.26  -0.08  -0.12     0.19  -0.07  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    875.6397               878.1239               910.0168
 Red. masses --      1.2784                 1.2456                 2.2648
 Frc consts  --      0.5775                 0.5659                 1.1051
 IR Inten    --      1.5024                 0.2965                 2.2784
 RamAct Fr= 1--      1.3047                 2.3526                 0.8356
  Dep-P Fr= 1--      0.4782                 0.4336                 0.7499
  Dep-U Fr= 1--      0.6470                 0.6050                 0.8571
 Alpha2 Fr= 1--      0.0071                 0.0154                 0.0000
 Beta2  Fr= 1--      0.1407                 0.2372                 0.1194
 AlphaG Fr= 1--      0.0117                 0.0640                 0.0008
 Gamma2 Fr= 1--     -0.6968                 2.8099                -0.8999
 Delta2 Fr= 1--      1.8695                 0.3497                 0.0299
 Raman1 Fr= 1--       5.219                  9.410                  3.342
 ROA1   Fr= 1--      -7.066                280.936                -85.431
 CID1   Fr= 1--      -1.354                 29.854                -25.561
 Raman2 Fr= 1--       1.688                  2.846                  1.432
 ROA2   Fr= 1--     -31.678                 64.639                -21.837
 CID2   Fr= 1--     -18.765                 22.709                -15.246
 Raman3 Fr= 1--       3.376                  5.693                  2.865
 ROA3   Fr= 1--      -7.066                280.936                -85.431
 CID3   Fr= 1--      -2.093                 49.349                -29.823
 RC180  Fr= 1--       0.294                  0.210                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00     0.02   0.01   0.01    -0.02  -0.08  -0.02
     2   6     0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.05  -0.05   0.01
     3   6     0.01   0.01   0.00     0.01   0.00   0.01     0.05   0.02  -0.01
     4   6     0.00  -0.01  -0.00     0.00  -0.01   0.00    -0.05  -0.04  -0.02
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.01    -0.02   0.01   0.02
     6   6    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.03   0.03  -0.01
     7   6    -0.04  -0.01  -0.04    -0.06  -0.04  -0.06     0.03   0.10  -0.07
     8   6     0.01   0.03   0.03     0.04   0.04   0.04    -0.08   0.01   0.02
     9   6     0.02  -0.00   0.02    -0.00   0.00   0.01     0.06  -0.01   0.09
    10   6    -0.01  -0.03  -0.00    -0.01  -0.01  -0.01    -0.08  -0.11  -0.02
    11   6    -0.02   0.03  -0.01     0.00   0.01   0.00    -0.07   0.11  -0.03
    12   6     0.01  -0.00   0.03     0.01   0.00  -0.00     0.08   0.00   0.07
    13   6     0.01   0.02  -0.01    -0.00  -0.01  -0.00     0.02   0.02  -0.01
    14   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01  -0.02  -0.01
    15   6    -0.05   0.03  -0.08     0.03  -0.02   0.04     0.01  -0.05  -0.01
    16   6     0.03  -0.04   0.04    -0.02   0.02  -0.02    -0.05  -0.00   0.00
    17   6     0.02   0.00   0.02    -0.02  -0.00  -0.01    -0.01   0.03  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.02  -0.00
    19   6    -0.01   0.00  -0.01     0.02   0.00   0.01     0.01  -0.01   0.00
    20   6     0.01  -0.00   0.01    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    21  40    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.19  -0.14  -0.18    -0.30  -0.25  -0.31     0.03   0.03   0.15
    25   1     0.24   0.19   0.23     0.39   0.31   0.41     0.02  -0.01  -0.22
    26   1     0.03  -0.04   0.01     0.05  -0.06   0.01    -0.08   0.20  -0.05
    27   1    -0.01   0.01  -0.03    -0.03   0.01  -0.05     0.03  -0.10   0.27
    28   1    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01     0.06   0.01   0.00
    29   1     0.03  -0.02  -0.01     0.03  -0.04  -0.00    -0.08   0.16  -0.00
    30   1     0.04  -0.02  -0.03     0.06  -0.05  -0.04     0.04   0.13  -0.06
    31   1     0.01   0.06   0.04     0.01   0.09   0.07    -0.05  -0.07   0.07
    32   1     0.03   0.00  -0.03     0.04  -0.00  -0.03    -0.01   0.20  -0.08
    33   1     0.00  -0.01   0.01    -0.01  -0.01   0.02     0.06  -0.08   0.20
    34   1     0.03  -0.06  -0.04     0.03  -0.04  -0.03     0.13  -0.25  -0.26
    35   1     0.04   0.02   0.04     0.01   0.04   0.01     0.17   0.13   0.19
    36   1     0.04  -0.04   0.04     0.01   0.02   0.02     0.17  -0.10   0.19
    37   1     0.04   0.07  -0.06    -0.00   0.00  -0.01     0.12   0.23  -0.27
    38   1    -0.27   0.25  -0.29     0.15  -0.16   0.17     0.02  -0.10   0.06
    39   1     0.39  -0.35   0.43    -0.24   0.21  -0.28    -0.02   0.05  -0.15
    40   1    -0.04  -0.05  -0.03     0.02   0.03   0.03    -0.00   0.06   0.06
    41   1     0.00   0.09  -0.01    -0.01  -0.05   0.01     0.01  -0.03   0.01
    42   1     0.01   0.02   0.00    -0.02  -0.02  -0.01    -0.05  -0.02  -0.08
    43   1    -0.04  -0.03  -0.00     0.02   0.02  -0.00    -0.01   0.03   0.06
    44   1     0.01  -0.01   0.02     0.01   0.01   0.00    -0.01  -0.01  -0.02
    45   1    -0.04  -0.02  -0.02     0.02   0.01   0.02     0.02   0.04   0.05
    46   1    -0.04  -0.04  -0.02     0.01   0.03   0.02    -0.03   0.05   0.05
    47   1     0.02   0.05  -0.02    -0.03  -0.03   0.02    -0.03  -0.05   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    920.5127               923.6458               928.5531
 Red. masses --      2.1797                 2.1556                 1.6926
 Frc consts  --      1.0882                 1.0835                 0.8598
 IR Inten    --      3.6735                 0.8843                 1.6335
 RamAct Fr= 1--      0.5401                 1.2713                 0.4748
  Dep-P Fr= 1--      0.5291                 0.3407                 0.2807
  Dep-U Fr= 1--      0.6921                 0.5083                 0.4384
 Alpha2 Fr= 1--      0.0023                 0.0115                 0.0052
 Beta2  Fr= 1--      0.0623                 0.1077                 0.0347
 AlphaG Fr= 1--      0.0897                 0.1146                 0.0055
 Gamma2 Fr= 1--     -0.1815                -0.2795                -0.4912
 Delta2 Fr= 1--      0.3679                -0.4229                 0.0053
 Raman1 Fr= 1--       2.161                  5.085                  1.899
 ROA1   Fr= 1--      -5.654                -40.366                -46.982
 CID1   Fr= 1--      -2.617                 -7.938                -24.739
 Raman2 Fr= 1--       0.748                  1.292                  0.416
 ROA2   Fr= 1--      -7.300                 -3.325                -11.830
 CID2   Fr= 1--      -9.763                 -2.573                -28.419
 Raman3 Fr= 1--       1.495                  2.585                  0.833
 ROA3   Fr= 1--      -5.654                -40.366                -46.982
 CID3   Fr= 1--      -3.781                -15.617                -56.430
 RC180  Fr= 1--       0.384                  0.017                 -0.123
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.10   0.04     0.00   0.03   0.01    -0.01  -0.02  -0.02
     2   6    -0.06   0.04  -0.05    -0.01   0.01  -0.02     0.00   0.00   0.02
     3   6    -0.06  -0.00  -0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     4   6     0.06   0.07   0.02     0.02   0.02   0.01    -0.01  -0.02  -0.01
     5   6     0.04  -0.04  -0.03     0.01  -0.01  -0.01    -0.00   0.00   0.01
     6   6    -0.05  -0.04   0.03    -0.01  -0.01   0.01     0.01   0.00   0.00
     7   6    -0.01  -0.06   0.09    -0.00  -0.01   0.02    -0.00  -0.01  -0.01
     8   6     0.03  -0.02  -0.04    -0.00  -0.00  -0.01     0.01   0.00  -0.00
     9   6     0.07   0.02   0.01     0.03   0.00   0.01    -0.03   0.00  -0.02
    10   6    -0.04  -0.08  -0.02    -0.01  -0.03   0.00     0.01   0.04   0.00
    11   6    -0.04   0.07  -0.01    -0.02   0.05  -0.02     0.03  -0.05   0.02
    12   6     0.04   0.01   0.06     0.04  -0.02  -0.02    -0.03   0.02  -0.01
    13   6     0.03   0.04  -0.00    -0.02  -0.10   0.01     0.05   0.01   0.03
    14   6     0.03  -0.01  -0.02    -0.03  -0.04   0.05     0.04  -0.03   0.02
    15   6     0.02  -0.07  -0.05    -0.06   0.13   0.09    -0.01  -0.02  -0.05
    16   6    -0.06  -0.01   0.02     0.08   0.01  -0.04    -0.02  -0.00   0.04
    17   6     0.02   0.05   0.01    -0.09  -0.03  -0.08    -0.01   0.09  -0.06
    18   6     0.02  -0.04  -0.02    -0.03   0.02   0.06     0.03  -0.09  -0.00
    19   6    -0.02  -0.04   0.01     0.09   0.04  -0.00    -0.02  -0.09   0.03
    20   6    -0.03   0.02   0.02    -0.01   0.00  -0.11    -0.06   0.08  -0.03
    21  40    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.05   0.20  -0.07    -0.00   0.06  -0.02    -0.01  -0.06  -0.02
    25   1    -0.13  -0.10   0.04    -0.04  -0.04  -0.02     0.02   0.04   0.05
    26   1     0.14  -0.26   0.06     0.04  -0.08   0.02    -0.04   0.07  -0.02
    27   1    -0.08   0.12  -0.31    -0.03   0.03  -0.09     0.03  -0.02   0.06
    28   1    -0.17   0.00  -0.04    -0.05   0.00  -0.01     0.03  -0.03   0.00
    29   1     0.15  -0.17  -0.02     0.04  -0.05  -0.01    -0.03   0.07  -0.01
    30   1    -0.08  -0.14   0.09    -0.02  -0.04   0.02     0.01   0.06  -0.02
    31   1     0.07   0.04  -0.15     0.02   0.01  -0.04    -0.02  -0.04   0.02
    32   1    -0.03  -0.25   0.12    -0.01  -0.07   0.03     0.01   0.07  -0.04
    33   1    -0.12   0.13  -0.24    -0.04   0.04  -0.07     0.04  -0.03   0.06
    34   1     0.08  -0.16  -0.18     0.05  -0.08  -0.03    -0.04   0.08   0.04
    35   1     0.13   0.04   0.13     0.06   0.01   0.07    -0.07  -0.01  -0.08
    36   1     0.10  -0.08   0.12     0.07  -0.03   0.06    -0.06   0.04  -0.06
    37   1     0.09   0.15  -0.15     0.07   0.11  -0.10    -0.05  -0.10   0.12
    38   1     0.00   0.00   0.09    -0.01  -0.15  -0.20    -0.05   0.12   0.02
    39   1     0.02   0.02  -0.17    -0.03  -0.02   0.28     0.13  -0.08   0.03
    40   1    -0.02   0.05   0.04     0.19   0.21   0.12     0.13   0.26   0.13
    41   1    -0.01   0.03   0.03     0.09  -0.38  -0.05     0.01  -0.21   0.05
    42   1    -0.04   0.02  -0.16    -0.10  -0.13   0.12    -0.12  -0.00  -0.30
    43   1    -0.04   0.04   0.11     0.18   0.11   0.02     0.06   0.22   0.31
    44   1    -0.11   0.03  -0.08     0.21  -0.12  -0.01    -0.20  -0.00  -0.25
    45   1     0.09   0.06   0.04    -0.10   0.10   0.18     0.20   0.25   0.24
    46   1    -0.02   0.03   0.02    -0.00   0.22   0.21    -0.02   0.23   0.18
    47   1    -0.03   0.01   0.02     0.04  -0.34   0.01     0.03  -0.20   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --    930.0611               953.2664               969.6250
 Red. masses --      1.9062                 2.3452                 2.2026
 Frc consts  --      0.9715                 1.2556                 1.2201
 IR Inten    --      0.8286                 1.5041                 1.3921
 RamAct Fr= 1--      0.5878                 3.0754                 4.7750
  Dep-P Fr= 1--      0.0276                 0.3230                 0.7085
  Dep-U Fr= 1--      0.0538                 0.4883                 0.8294
 Alpha2 Fr= 1--      0.0122                 0.0294                 0.0034
 Beta2  Fr= 1--      0.0053                 0.2503                 0.6601
 AlphaG Fr= 1--      0.0541                -0.0891                -0.0196
 Gamma2 Fr= 1--      0.3010                 3.6235                 5.5787
 Delta2 Fr= 1--     -0.0090                -0.7068                 1.5658
 Raman1 Fr= 1--       2.351                 12.301                 19.100
 ROA1   Fr= 1--      28.609                325.241                585.658
 CID1   Fr= 1--      12.167                 26.439                 30.663
 Raman2 Fr= 1--       0.063                  3.003                  7.921
 ROA2   Fr= 1--       7.296                 92.620                121.361
 CID2   Fr= 1--     115.427                 30.838                 15.322
 Raman3 Fr= 1--       0.126                  6.007                 15.841
 ROA3   Fr= 1--      28.609                325.241                585.658
 CID3   Fr= 1--     226.294                 54.146                 36.970
 RC180  Fr= 1--      -0.892                 -0.023                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.07    -0.03   0.03  -0.01    -0.12   0.10  -0.00
     2   6     0.01  -0.06  -0.02     0.04  -0.02  -0.01    -0.01  -0.06   0.04
     3   6     0.00  -0.03  -0.04     0.01   0.02  -0.03     0.05  -0.06  -0.01
     4   6     0.01  -0.00   0.11     0.01   0.03  -0.04     0.06   0.10  -0.10
     5   6    -0.09   0.05  -0.06     0.03  -0.03   0.02    -0.08  -0.04   0.11
     6   6    -0.01   0.04  -0.11    -0.01  -0.02   0.04     0.13  -0.05  -0.02
     7   6     0.03   0.08  -0.06    -0.03   0.03  -0.01     0.01   0.04  -0.04
     8   6    -0.05  -0.00   0.04    -0.06  -0.00   0.08    -0.01   0.03  -0.01
     9   6    -0.01  -0.02   0.02     0.04  -0.07  -0.01    -0.01   0.00   0.02
    10   6     0.01   0.02   0.02     0.13   0.06   0.10    -0.01  -0.00  -0.02
    11   6    -0.01  -0.00  -0.01    -0.13   0.04  -0.10     0.01  -0.00   0.02
    12   6    -0.01  -0.00  -0.00    -0.05  -0.07   0.01     0.01   0.01  -0.00
    13   6     0.00   0.00   0.00    -0.04  -0.02   0.02     0.01  -0.00  -0.01
    14   6     0.00   0.00   0.00    -0.01   0.03   0.02    -0.01  -0.01  -0.00
    15   6     0.00  -0.00  -0.01     0.03   0.02   0.00    -0.00   0.00   0.00
    16   6     0.00   0.00  -0.00     0.07  -0.01  -0.08    -0.00   0.00   0.01
    17   6     0.00   0.01  -0.01     0.02   0.03   0.01     0.01   0.01  -0.00
    18   6     0.01  -0.01  -0.00     0.03  -0.03  -0.03    -0.02  -0.01   0.01
    19   6    -0.01  -0.01   0.00    -0.03  -0.04   0.00     0.02  -0.01  -0.01
    20   6    -0.01   0.01   0.00    -0.01   0.04   0.03    -0.01   0.01   0.01
    21  40     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.03  -0.08   0.15    -0.11   0.00   0.02     0.02  -0.06   0.04
    25   1     0.03  -0.03  -0.20     0.12  -0.00  -0.03    -0.11   0.09   0.01
    26   1     0.11  -0.22   0.10    -0.01  -0.01  -0.01    -0.19  -0.06   0.06
    27   1    -0.10  -0.01  -0.08    -0.07   0.03  -0.02    -0.39   0.11  -0.05
    28   1     0.17   0.31   0.11    -0.07  -0.11  -0.03     0.36  -0.23   0.08
    29   1    -0.09  -0.39   0.14     0.06   0.06  -0.04     0.07  -0.18   0.08
    30   1     0.11  -0.38   0.02    -0.04   0.05   0.02     0.01  -0.16   0.11
    31   1     0.03   0.34   0.20    -0.00  -0.09  -0.06    -0.14  -0.19   0.35
    32   1    -0.02  -0.23   0.16    -0.01   0.01  -0.02     0.11  -0.07  -0.13
    33   1    -0.09   0.04  -0.13    -0.03   0.04  -0.03     0.13   0.10  -0.33
    34   1    -0.03   0.05   0.06    -0.05   0.16   0.45    -0.02   0.01  -0.05
    35   1    -0.02  -0.03  -0.01     0.04  -0.35   0.12    -0.01   0.02  -0.02
    36   1    -0.02  -0.03  -0.03    -0.05  -0.34  -0.12     0.01   0.01   0.03
    37   1    -0.02  -0.01  -0.04     0.03   0.12  -0.44     0.02   0.01   0.03
    38   1     0.01   0.03   0.01     0.12   0.02  -0.01    -0.01  -0.03  -0.01
    39   1     0.00  -0.01   0.01    -0.12  -0.00   0.01     0.02   0.01  -0.01
    40   1     0.01   0.03   0.01    -0.00  -0.00  -0.02     0.02   0.00  -0.02
    41   1     0.00  -0.01   0.01     0.01   0.07  -0.00     0.03   0.03  -0.02
    42   1    -0.01   0.01  -0.05    -0.01   0.03  -0.13    -0.04  -0.05   0.02
    43   1     0.00   0.03   0.04    -0.03   0.02   0.07    -0.01  -0.02  -0.01
    44   1    -0.04   0.00  -0.03    -0.10   0.03  -0.06     0.04  -0.05  -0.03
    45   1     0.03   0.03   0.03     0.08   0.03   0.00    -0.01  -0.03  -0.02
    46   1    -0.00   0.02   0.02     0.01   0.00  -0.02    -0.03   0.00   0.01
    47   1     0.00  -0.01   0.01     0.02   0.08   0.00    -0.04   0.03   0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --    970.3153              1002.1992              1028.4821
 Red. masses --      2.2225                 2.3624                 2.9815
 Frc consts  --      1.2329                 1.3980                 1.8581
 IR Inten    --      1.0996                 1.0246                 5.3136
 RamAct Fr= 1--      3.9543                 1.6536                 1.0119
  Dep-P Fr= 1--      0.7190                 0.3895                 0.7499
  Dep-U Fr= 1--      0.8365                 0.5606                 0.8571
 Alpha2 Fr= 1--      0.0021                 0.0127                 0.0000
 Beta2  Fr= 1--      0.5513                 0.1545                 0.1445
 AlphaG Fr= 1--      0.0031                -0.0196                 0.0004
 Gamma2 Fr= 1--     -1.0186                -0.6664                -0.1537
 Delta2 Fr= 1--     -1.2827                -0.8890                -0.1757
 Raman1 Fr= 1--      15.817                  6.614                  4.048
 ROA1   Fr= 1--    -138.832                -92.422                -20.381
 CID1   Fr= 1--      -8.777                -13.973                 -5.035
 Raman2 Fr= 1--       6.616                  1.854                  1.735
 ROA2   Fr= 1--     -14.185                 -8.881                 -2.284
 CID2   Fr= 1--      -2.144                 -4.790                 -1.317
 Raman3 Fr= 1--      13.232                  3.708                  3.469
 ROA3   Fr= 1--    -138.832                -92.422                -20.381
 CID3   Fr= 1--     -10.492                -24.925                 -5.875
 RC180  Fr= 1--       0.673                  0.121                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00     0.01   0.01  -0.01     0.01   0.03  -0.01
     2   6    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.12  -0.08  -0.03
     3   6    -0.01   0.01   0.00    -0.01   0.01  -0.00     0.01   0.01  -0.03
     4   6    -0.01  -0.02   0.02     0.00   0.00   0.00    -0.00   0.07  -0.02
     5   6     0.01   0.01  -0.02     0.01  -0.00  -0.01     0.03  -0.06  -0.00
     6   6    -0.02   0.01   0.00    -0.01  -0.00   0.01    -0.06   0.02   0.05
     7   6    -0.00  -0.01   0.01    -0.00  -0.02   0.01    -0.02   0.01   0.01
     8   6     0.00  -0.01  -0.00    -0.05  -0.02   0.07    -0.10  -0.01   0.10
     9   6    -0.00   0.00  -0.00    -0.00   0.01  -0.04     0.05  -0.09  -0.05
    10   6    -0.00  -0.00  -0.01     0.03   0.04  -0.22    -0.01   0.10   0.01
    11   6     0.01   0.00   0.01    -0.04   0.04   0.22    -0.02  -0.10   0.00
    12   6     0.01  -0.00  -0.02    -0.00   0.01   0.04     0.06   0.09  -0.05
    13   6    -0.00  -0.06  -0.05     0.00  -0.00  -0.00     0.12   0.09  -0.04
    14   6    -0.06  -0.05  -0.00     0.01   0.01   0.00     0.02  -0.02  -0.02
    15   6    -0.01   0.04   0.04     0.00  -0.02  -0.01    -0.02  -0.01   0.01
    16   6     0.01   0.03   0.01     0.05  -0.02  -0.07    -0.11   0.01   0.10
    17   6     0.12   0.10   0.00    -0.00   0.01   0.01    -0.00  -0.01  -0.03
    18   6    -0.10  -0.07   0.05     0.01  -0.00  -0.01    -0.07  -0.00   0.03
    19   6     0.10  -0.07  -0.09    -0.01  -0.00   0.01     0.05   0.05   0.02
    20   6    -0.07   0.10   0.11    -0.00   0.00  -0.00    -0.01  -0.06  -0.04
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.01   0.00   0.00    -0.02  -0.12   0.14    -0.13   0.09   0.06
    25   1     0.01  -0.01   0.00     0.15  -0.08  -0.05     0.27  -0.12  -0.13
    26   1     0.03   0.01  -0.01     0.02  -0.00  -0.01     0.08  -0.05  -0.02
    27   1     0.06  -0.02   0.01     0.01   0.01  -0.01    -0.13   0.03   0.01
    28   1    -0.05   0.03  -0.01    -0.03  -0.02  -0.01    -0.19  -0.03  -0.05
    29   1    -0.01   0.02  -0.01     0.02   0.02  -0.01     0.07   0.08  -0.05
    30   1     0.00   0.02  -0.02    -0.00   0.01  -0.01    -0.06  -0.03   0.03
    31   1     0.02   0.03  -0.05     0.01   0.01  -0.03     0.02  -0.08  -0.08
    32   1    -0.01   0.01   0.02     0.00  -0.00   0.00    -0.05  -0.03   0.02
    33   1    -0.02  -0.02   0.05    -0.02   0.01   0.01    -0.13   0.10  -0.03
    34   1    -0.02   0.01   0.00    -0.31   0.33  -0.18    -0.18   0.27  -0.17
    35   1    -0.01  -0.00  -0.02    -0.06  -0.27  -0.24     0.02  -0.03   0.09
    36   1     0.00   0.01   0.00     0.05  -0.27   0.24     0.01   0.03   0.07
    37   1     0.01   0.00   0.03     0.31   0.33   0.17    -0.20  -0.29  -0.18
    38   1    -0.01  -0.06  -0.03     0.02  -0.13  -0.15    -0.14  -0.09   0.06
    39   1     0.09   0.10  -0.03    -0.14  -0.07   0.04     0.29   0.11  -0.11
    40   1     0.13   0.02  -0.17     0.00  -0.00  -0.01     0.02   0.04   0.04
    41   1     0.25   0.28  -0.16    -0.03   0.01   0.02    -0.06  -0.07   0.03
    42   1    -0.25  -0.31   0.05    -0.00  -0.00  -0.02    -0.05  -0.09   0.14
    43   1    -0.06  -0.16  -0.06     0.00   0.01   0.01    -0.02  -0.08  -0.09
    44   1     0.22  -0.32  -0.25    -0.03   0.03   0.01     0.13  -0.02   0.08
    45   1    -0.02  -0.17  -0.13     0.02   0.01   0.01    -0.09  -0.00   0.04
    46   1    -0.19   0.01   0.02     0.01   0.00  -0.00    -0.03  -0.02   0.03
    47   1    -0.26   0.24   0.13     0.00  -0.00  -0.00    -0.10  -0.12   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1058.0861              1059.1639              1065.5602
 Red. masses --      1.3748                 1.3333                 2.4934
 Frc consts  --      0.9068                 0.8812                 1.6680
 IR Inten    --      3.4526                 7.6570                 1.7309
 RamAct Fr= 1--      4.1158                 2.6666                 1.0980
  Dep-P Fr= 1--      0.0984                 0.3778                 0.7460
  Dep-U Fr= 1--      0.1792                 0.5485                 0.8545
 Alpha2 Fr= 1--      0.0723                 0.0213                 0.0001
 Beta2  Fr= 1--      0.1229                 0.2438                 0.1564
 AlphaG Fr= 1--     -0.1981                -0.0798                 0.0114
 Gamma2 Fr= 1--      2.6488                 3.2018                 0.9669
 Delta2 Fr= 1--      0.8907                 0.6476                -1.1100
 Raman1 Fr= 1--      16.463                 10.667                  4.392
 ROA1   Fr= 1--     282.789                328.093                 57.302
 CID1   Fr= 1--      17.177                 30.759                 13.047
 Raman2 Fr= 1--       1.475                  2.925                  1.876
 ROA2   Fr= 1--      56.446                 71.661                 32.086
 CID2   Fr= 1--      38.267                 24.499                 17.100
 Raman3 Fr= 1--       2.950                  5.850                  3.753
 ROA3   Fr= 1--     282.789                328.093                 57.302
 CID3   Fr= 1--      95.857                 56.083                 15.269
 RC180  Fr= 1--      -0.642                  0.097                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.02  -0.01   0.02     0.05   0.01  -0.02
     2   6     0.04  -0.03  -0.01    -0.02   0.02  -0.00     0.09  -0.07  -0.01
     3   6     0.01  -0.01  -0.01    -0.01   0.03  -0.00     0.02  -0.03  -0.02
     4   6     0.00   0.02  -0.02     0.02  -0.04  -0.00     0.01   0.08  -0.04
     5   6     0.00  -0.04   0.01    -0.02   0.03   0.02     0.00  -0.10   0.02
     6   6    -0.02   0.03   0.01     0.03  -0.01  -0.03    -0.08   0.08   0.04
     7   6     0.01  -0.01   0.01     0.04  -0.09   0.02    -0.01   0.03  -0.00
     8   6    -0.03   0.02   0.02    -0.05   0.06   0.02    -0.03  -0.00   0.02
     9   6     0.01  -0.02   0.00     0.00  -0.00  -0.01     0.02  -0.03   0.01
    10   6    -0.04   0.01  -0.00    -0.01   0.00   0.00    -0.08   0.03  -0.01
    11   6     0.04   0.01   0.00     0.01   0.00   0.00     0.08   0.03   0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.01  -0.01    -0.02  -0.03  -0.02
    13   6    -0.01  -0.00   0.01    -0.02  -0.02   0.00    -0.10  -0.08   0.02
    14   6     0.01   0.02   0.01    -0.01  -0.01   0.00    -0.04  -0.03   0.01
    15   6    -0.04  -0.08  -0.02     0.01   0.02   0.00     0.03   0.06   0.01
    16   6     0.07   0.06  -0.02    -0.00  -0.01  -0.00     0.02  -0.03  -0.02
    17   6     0.00  -0.01  -0.02    -0.01  -0.00   0.01    -0.04  -0.02   0.06
    18   6     0.00   0.00   0.02     0.02   0.01  -0.01     0.11   0.05  -0.01
    19   6     0.02  -0.00  -0.03    -0.01  -0.02  -0.00    -0.05  -0.08  -0.05
    20   6    -0.03  -0.01   0.01     0.01   0.02   0.01     0.01   0.09   0.04
    21  40    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.06   0.15  -0.05    -0.19   0.58  -0.27    -0.01  -0.04   0.06
    25   1     0.13  -0.08  -0.06     0.50  -0.33  -0.23    -0.05   0.04   0.01
    26   1     0.05  -0.01  -0.01    -0.10  -0.01   0.06     0.18  -0.02  -0.06
    27   1    -0.03   0.00   0.01    -0.04  -0.01   0.02    -0.02   0.01   0.01
    28   1    -0.07   0.04  -0.01     0.13  -0.02   0.04    -0.24   0.13  -0.05
    29   1    -0.01   0.05  -0.01    -0.03  -0.06   0.03    -0.00   0.16  -0.05
    30   1    -0.03  -0.05   0.04     0.01   0.00   0.01    -0.06  -0.14   0.08
    31   1    -0.01  -0.07   0.02    -0.01   0.05   0.03    -0.03  -0.19   0.05
    32   1    -0.01  -0.00  -0.01     0.03   0.02  -0.02    -0.02  -0.04  -0.02
    33   1    -0.02   0.03  -0.03     0.10  -0.06  -0.02    -0.10   0.10  -0.07
    34   1     0.02  -0.03  -0.07     0.02  -0.02  -0.00     0.03  -0.05  -0.14
    35   1    -0.02   0.13  -0.01    -0.01   0.04  -0.01    -0.05   0.26  -0.04
    36   1     0.03   0.13   0.02     0.01   0.04   0.00     0.05   0.24   0.03
    37   1    -0.03  -0.04   0.06    -0.00  -0.01   0.03    -0.02  -0.03   0.16
    38   1     0.21   0.56   0.27    -0.04  -0.11  -0.07    -0.07  -0.26  -0.18
    39   1    -0.50  -0.29   0.19     0.10   0.06  -0.04     0.24   0.15  -0.07
    40   1     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.09  -0.06   0.03
    41   1     0.08  -0.03  -0.06    -0.02   0.01   0.02    -0.06   0.02   0.06
    42   1    -0.01  -0.01   0.02     0.03   0.04  -0.02     0.17   0.20  -0.06
    43   1     0.00  -0.00   0.01     0.02   0.03   0.02     0.11   0.16   0.10
    44   1     0.06  -0.05  -0.01    -0.03  -0.00  -0.03    -0.11  -0.06  -0.19
    45   1    -0.04  -0.04  -0.03     0.03  -0.00  -0.02     0.11  -0.05  -0.11
    46   1    -0.08  -0.01   0.03     0.02   0.01  -0.01     0.03   0.04  -0.03
    47   1    -0.04   0.01   0.01     0.03   0.03  -0.00     0.09   0.12  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1079.7081              1085.8859              1103.9445
 Red. masses --      2.0125                 2.0479                 1.8056
 Frc consts  --      1.3823                 1.4228                 1.2965
 IR Inten    --      1.0188                 0.6200                 0.6112
 RamAct Fr= 1--      1.1939                 4.1729                 1.0903
  Dep-P Fr= 1--      0.6674                 0.5857                 0.5295
  Dep-U Fr= 1--      0.8005                 0.7388                 0.6924
 Alpha2 Fr= 1--      0.0018                 0.0128                 0.0047
 Beta2  Fr= 1--      0.1593                 0.5138                 0.1258
 AlphaG Fr= 1--      0.0026                -0.1365                -0.0321
 Gamma2 Fr= 1--      2.3703                -5.3473                 0.1388
 Delta2 Fr= 1--      1.7032                -0.6974                 0.0266
 Raman1 Fr= 1--       4.775                 16.692                  4.361
 ROA1   Fr= 1--     282.045               -535.652                 14.175
 CID1   Fr= 1--      59.061                -32.091                  3.250
 Raman2 Fr= 1--       1.912                  6.166                  1.510
 ROA2   Fr= 1--      43.261               -122.755                  3.118
 CID2   Fr= 1--      22.632                -19.910                  2.065
 Raman3 Fr= 1--       3.823                 12.331                  3.020
 ROA3   Fr= 1--     282.045               -535.652                 14.175
 CID3   Fr= 1--      73.776                -43.439                  4.695
 RC180  Fr= 1--       0.601                  0.478                  0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.03   0.02     0.06  -0.03   0.04     0.02   0.02   0.02
     2   6    -0.02   0.02  -0.01    -0.07   0.05  -0.01    -0.01  -0.01  -0.01
     3   6     0.01  -0.00   0.00     0.01   0.02   0.01     0.01   0.01   0.02
     4   6     0.03   0.01  -0.07     0.03  -0.03  -0.07    -0.02  -0.01  -0.02
     5   6    -0.03  -0.09   0.07    -0.03  -0.05   0.08     0.02   0.01   0.02
     6   6    -0.05   0.10  -0.03    -0.03   0.07  -0.06    -0.01  -0.01  -0.03
     7   6     0.01  -0.02   0.01    -0.00  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.00   0.02  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.02   0.01   0.01    -0.02   0.02  -0.00     0.00  -0.00  -0.01
    10   6     0.00  -0.01  -0.00     0.06  -0.02   0.00     0.01   0.00  -0.01
    11   6    -0.00   0.01   0.00    -0.06  -0.02  -0.00    -0.00  -0.00   0.00
    12   6    -0.02  -0.01   0.01     0.02   0.03   0.01     0.01  -0.00  -0.02
    13   6    -0.01  -0.02  -0.01     0.06   0.08   0.00     0.04  -0.05   0.04
    14   6     0.00   0.00  -0.01     0.02   0.01   0.00    -0.05   0.02  -0.05
    15   6     0.00   0.02   0.01     0.00  -0.02  -0.02     0.00  -0.01   0.01
    16   6    -0.00  -0.01  -0.00    -0.02  -0.00   0.01    -0.00   0.01   0.01
    17   6     0.06   0.06  -0.01    -0.04  -0.06  -0.00    -0.06   0.07  -0.07
    18   6    -0.07  -0.09  -0.05     0.03   0.08   0.06     0.07  -0.07   0.07
    19   6    -0.02   0.07   0.09     0.04  -0.05  -0.08    -0.04   0.07  -0.09
    20   6     0.06  -0.04  -0.03    -0.08   0.00   0.00     0.06  -0.05   0.08
    21  40    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1    -0.02   0.10  -0.05     0.00   0.01  -0.02     0.01  -0.04   0.02
    25   1    -0.01  -0.01   0.03    -0.05   0.02   0.06     0.00   0.01   0.01
    26   1     0.09  -0.04   0.02     0.00  -0.06   0.07    -0.05  -0.07   0.07
    27   1     0.17  -0.02  -0.05     0.21  -0.02  -0.10     0.04   0.02  -0.09
    28   1    -0.11   0.31  -0.00    -0.01   0.29   0.03     0.05   0.02   0.03
    29   1    -0.18   0.18   0.00    -0.21   0.12   0.03    -0.08  -0.02   0.02
    30   1    -0.08  -0.19   0.14    -0.07  -0.12   0.13    -0.05   0.03   0.06
    31   1    -0.10  -0.27   0.18    -0.10  -0.22   0.15     0.00  -0.03  -0.06
    32   1     0.07   0.02  -0.10     0.07   0.06  -0.11    -0.06   0.08   0.01
    33   1     0.13  -0.02  -0.11     0.20  -0.07  -0.08     0.07  -0.04   0.02
    34   1     0.03  -0.05   0.07    -0.02   0.03   0.09    -0.03   0.04  -0.03
    35   1    -0.03   0.02  -0.05     0.03  -0.19   0.02     0.02  -0.04   0.02
    36   1    -0.03  -0.04  -0.05    -0.03  -0.18  -0.01     0.03   0.02   0.04
    37   1     0.04   0.06   0.05     0.01   0.02  -0.11     0.00   0.00  -0.01
    38   1    -0.02  -0.08  -0.04    -0.01   0.01   0.02    -0.01  -0.02  -0.00
    39   1    -0.01   0.01   0.02     0.05   0.00  -0.05     0.08   0.06  -0.08
    40   1     0.10   0.04  -0.10    -0.05  -0.03   0.07    -0.17   0.19   0.33
    41   1     0.10   0.10  -0.06    -0.13  -0.10   0.07     0.19  -0.21  -0.12
    42   1    -0.22  -0.23  -0.13     0.19   0.17   0.19     0.02   0.15  -0.21
    43   1    -0.16  -0.16  -0.07     0.14   0.11   0.02    -0.18  -0.04   0.25
    44   1    -0.06   0.21   0.25     0.10  -0.20  -0.21     0.17  -0.11   0.08
    45   1    -0.03   0.15   0.19     0.02  -0.15  -0.16    -0.30   0.00   0.01
    46   1     0.13  -0.03  -0.05    -0.14   0.04   0.08    -0.25  -0.24  -0.06
    47   1     0.13  -0.02  -0.06    -0.21  -0.05   0.08     0.23   0.26  -0.12
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1105.2193              1141.1898              1165.9972
 Red. masses --      1.9134                 1.8149                 1.8750
 Frc consts  --      1.3771                 1.3926                 1.5019
 IR Inten    --      0.4947                 1.9286                 0.0834
 RamAct Fr= 1--      2.3456                 0.7343                 2.1637
  Dep-P Fr= 1--      0.1075                 0.6433                 0.5885
  Dep-U Fr= 1--      0.1941                 0.7829                 0.7410
 Alpha2 Fr= 1--      0.0403                 0.0014                 0.0065
 Beta2  Fr= 1--      0.0759                 0.0958                 0.2672
 AlphaG Fr= 1--      0.1483                 0.0058                 0.0055
 Gamma2 Fr= 1--     -0.3357                -2.8671                 1.0486
 Delta2 Fr= 1--     -0.6216                -0.7898                 0.7679
 Raman1 Fr= 1--       9.382                  2.937                  8.655
 ROA1   Fr= 1--     -52.122               -300.512                125.238
 CID1   Fr= 1--      -5.555               -102.317                 14.471
 Raman2 Fr= 1--       0.910                  1.150                  3.206
 ROA2   Fr= 1--      -3.084                -62.491                 19.023
 CID2   Fr= 1--      -3.388                -54.351                  5.933
 Raman3 Fr= 1--       1.821                  2.300                  6.413
 ROA3   Fr= 1--     -52.122               -300.512                125.238
 CID3   Fr= 1--     -28.628               -130.685                 19.529
 RC180  Fr= 1--      -0.612                  0.566                  0.482
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.09   0.07    -0.02  -0.02   0.03    -0.01  -0.02   0.02
     2   6    -0.01  -0.09  -0.03    -0.03   0.07  -0.04     0.02   0.03  -0.04
     3   6     0.06   0.01   0.05    -0.04   0.06   0.00    -0.02   0.06  -0.01
     4   6    -0.09  -0.02  -0.07     0.03  -0.04  -0.00     0.02  -0.03  -0.02
     5   6     0.10   0.06   0.06    -0.02   0.00   0.02    -0.01  -0.00   0.02
     6   6    -0.06  -0.07  -0.08     0.03  -0.00  -0.02     0.01   0.00  -0.01
     7   6     0.00   0.02  -0.02    -0.04   0.00   0.02    -0.04   0.00   0.03
     8   6    -0.01   0.01   0.00    -0.00  -0.05   0.05     0.00  -0.03   0.03
     9   6     0.01  -0.02   0.01     0.05   0.01  -0.07     0.03  -0.00  -0.03
    10   6    -0.02   0.01  -0.00     0.02  -0.01  -0.02    -0.02   0.00   0.01
    11   6     0.02   0.01   0.00     0.03   0.01  -0.02     0.03   0.01  -0.01
    12   6    -0.00  -0.00  -0.00     0.05  -0.02  -0.07    -0.04  -0.02   0.00
    13   6    -0.02  -0.00  -0.01    -0.03  -0.07  -0.04    -0.05   0.04   0.06
    14   6     0.01  -0.01   0.01    -0.04  -0.07   0.00    -0.01   0.13   0.05
    15   6    -0.00   0.01   0.00    -0.05  -0.00   0.03     0.07  -0.01  -0.06
    16   6     0.00   0.00  -0.00    -0.00   0.05   0.04    -0.02  -0.07  -0.02
    17   6     0.02  -0.01   0.03    -0.01   0.01   0.05     0.00  -0.08  -0.01
    18   6    -0.02   0.01  -0.03     0.02   0.02  -0.03    -0.01   0.02   0.02
    19   6     0.00  -0.02   0.03    -0.02  -0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.00   0.02  -0.02     0.04   0.05  -0.00    -0.06  -0.03   0.03
    21  40     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.06   0.04     0.04  -0.24   0.15     0.01  -0.09   0.06
    25   1    -0.01   0.05   0.02     0.03  -0.02   0.00    -0.02   0.00   0.03
    26   1    -0.15  -0.27   0.23    -0.12  -0.01   0.08    -0.01   0.00   0.02
    27   1     0.06   0.11  -0.32     0.03  -0.02   0.01    -0.16  -0.02   0.10
    28   1     0.16  -0.01   0.09     0.03   0.07   0.01     0.04   0.00   0.01
    29   1    -0.24  -0.12   0.05    -0.05   0.02   0.02     0.01  -0.06   0.02
    30   1    -0.21   0.16   0.19     0.03   0.01  -0.02    -0.03  -0.06   0.06
    31   1     0.04  -0.05  -0.31    -0.04  -0.04   0.08     0.02   0.07  -0.04
    32   1    -0.33   0.29   0.10     0.16  -0.02  -0.10    -0.00   0.04  -0.01
    33   1     0.17  -0.09   0.10     0.13  -0.06  -0.06     0.09  -0.04  -0.02
    34   1    -0.02   0.02  -0.06    -0.13   0.15  -0.20    -0.05   0.05  -0.10
    35   1    -0.01   0.06  -0.00     0.23  -0.27   0.29     0.05   0.02   0.08
    36   1     0.02   0.06   0.01     0.23   0.28   0.28     0.04   0.13   0.03
    37   1    -0.02  -0.02   0.02    -0.13  -0.16  -0.18     0.03   0.03   0.09
    38   1     0.01   0.01   0.01     0.04   0.24   0.15     0.00   0.05   0.02
    39   1    -0.02  -0.02   0.03     0.02   0.01   0.02     0.21   0.08  -0.16
    40   1     0.04  -0.05  -0.10    -0.08  -0.04   0.02     0.34  -0.02  -0.28
    41   1    -0.04   0.07   0.03    -0.04   0.07   0.05     0.14   0.01  -0.14
    42   1    -0.02  -0.05   0.03    -0.02  -0.03  -0.04    -0.23  -0.26  -0.02
    43   1     0.04   0.01  -0.07     0.02   0.03  -0.02     0.21   0.16   0.02
    44   1    -0.07   0.05  -0.01    -0.08   0.06   0.00     0.03   0.10   0.16
    45   1     0.09   0.01   0.01     0.07   0.03   0.01    -0.06   0.08   0.12
    46   1     0.09   0.07   0.01     0.14   0.04  -0.05    -0.30  -0.04   0.11
    47   1    -0.03  -0.06   0.02     0.15   0.02  -0.04     0.29   0.01  -0.14
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1167.3161              1172.1209              1174.1955
 Red. masses --      1.5580                 1.3328                 1.3051
 Frc consts  --      1.2508                 1.0789                 1.0601
 IR Inten    --      0.5666                 0.8334                 1.9199
 RamAct Fr= 1--      0.4188                 2.1508                 0.8972
  Dep-P Fr= 1--      0.4190                 0.4252                 0.6459
  Dep-U Fr= 1--      0.5906                 0.5967                 0.7848
 Alpha2 Fr= 1--      0.0029                 0.0145                 0.0017
 Beta2  Fr= 1--      0.0412                 0.2139                 0.1174
 AlphaG Fr= 1--      0.0486                -0.0373                 0.0051
 Gamma2 Fr= 1--     -2.1522                -1.2487                -0.0891
 Delta2 Fr= 1--     -0.4820                 0.6544                 0.2340
 Raman1 Fr= 1--       1.675                  8.603                  3.589
 ROA1   Fr= 1--    -222.038                -98.931                 -1.067
 CID1   Fr= 1--    -132.545                -11.499                 -0.297
 Raman2 Fr= 1--       0.495                  2.567                  1.408
 ROA2   Fr= 1--     -47.797                -35.203                 -4.011
 CID2   Fr= 1--     -96.622                -13.714                 -2.848
 Raman3 Fr= 1--       0.989                  5.134                  2.817
 ROA3   Fr= 1--    -222.038                -98.931                 -1.067
 CID3   Fr= 1--    -224.427                -19.270                 -0.379
 RC180  Fr= 1--       0.181                  0.193                  0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06  -0.01     0.03   0.00   0.04    -0.04   0.01  -0.04
     2   6    -0.05  -0.05   0.04     0.00  -0.00  -0.05    -0.00   0.01   0.04
     3   6    -0.01  -0.11   0.04    -0.02   0.02  -0.04     0.01  -0.03   0.06
     4   6    -0.02   0.05   0.07     0.03   0.00   0.02    -0.03  -0.00   0.00
     5   6     0.01   0.00  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.02     0.00   0.00  -0.01     0.00  -0.02   0.02
     7   6     0.05   0.01  -0.05    -0.03   0.01   0.02     0.02   0.00  -0.03
     8   6    -0.02   0.05  -0.01     0.00  -0.03   0.02    -0.01   0.03  -0.00
     9   6    -0.02   0.02  -0.00     0.03  -0.02  -0.01    -0.01   0.03  -0.02
    10   6     0.01  -0.01  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.02   0.00  -0.01     0.01   0.00  -0.01
    12   6     0.00  -0.01  -0.02    -0.03   0.00   0.02    -0.01  -0.01  -0.02
    13   6    -0.01   0.00   0.00    -0.01   0.00   0.06     0.00  -0.01   0.04
    14   6    -0.02   0.03   0.02     0.05   0.02   0.02     0.02   0.02   0.04
    15   6     0.01  -0.01  -0.01     0.03   0.01  -0.02     0.01   0.00  -0.02
    16   6    -0.01  -0.01   0.00    -0.00  -0.02  -0.01    -0.01  -0.02   0.00
    17   6    -0.00  -0.03   0.01    -0.01   0.01  -0.04    -0.02   0.00  -0.03
    18   6    -0.00   0.01   0.01     0.00  -0.01   0.01     0.01   0.01   0.01
    19   6     0.01  -0.01  -0.01     0.01  -0.01   0.00     0.01  -0.02  -0.00
    20   6    -0.01  -0.01   0.01    -0.04   0.01  -0.02    -0.04   0.02  -0.02
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.06   0.03     0.01  -0.01   0.02     0.01  -0.12   0.06
    25   1     0.18  -0.07  -0.14    -0.04   0.01   0.03     0.15  -0.06  -0.10
    26   1    -0.16  -0.06   0.08    -0.29  -0.08   0.19     0.24   0.07  -0.17
    27   1     0.42   0.06  -0.29     0.02   0.01  -0.06     0.06   0.00   0.01
    28   1    -0.07   0.01  -0.01     0.14  -0.14   0.03    -0.20   0.22  -0.04
    29   1    -0.12   0.24  -0.04    -0.18   0.21  -0.00     0.18  -0.20   0.00
    30   1     0.14   0.24  -0.23     0.09   0.16  -0.13    -0.06  -0.11   0.09
    31   1    -0.09  -0.26   0.17    -0.01   0.00   0.02    -0.03  -0.11   0.05
    32   1     0.20  -0.15  -0.09     0.23  -0.09  -0.14    -0.17   0.07   0.11
    33   1    -0.15   0.09  -0.00    -0.19   0.05   0.09     0.27  -0.07  -0.16
    34   1     0.01  -0.01   0.02    -0.03   0.03  -0.08    -0.00  -0.00   0.01
    35   1     0.05  -0.09   0.06    -0.00   0.07   0.02     0.07  -0.08   0.08
    36   1     0.06   0.05   0.08    -0.01   0.05  -0.04     0.05   0.06   0.06
    37   1    -0.02  -0.02  -0.04     0.01   0.01   0.07    -0.01  -0.01  -0.00
    38   1     0.01   0.10   0.06    -0.02  -0.10  -0.06    -0.01   0.05   0.02
    39   1     0.10   0.04  -0.07    -0.02  -0.02   0.02     0.09   0.03  -0.04
    40   1     0.11  -0.02  -0.11    -0.15   0.03   0.17    -0.14   0.02   0.15
    41   1    -0.01   0.01  -0.00     0.30  -0.04  -0.22     0.28  -0.03  -0.21
    42   1    -0.09  -0.10  -0.01     0.02   0.03   0.00    -0.03  -0.03   0.00
    43   1     0.10   0.08   0.01    -0.18  -0.18  -0.05    -0.14  -0.14  -0.05
    44   1     0.01   0.03   0.04    -0.04   0.13   0.14    -0.06   0.17   0.18
    45   1    -0.02   0.05   0.07     0.08  -0.19  -0.22     0.08  -0.18  -0.21
    46   1    -0.10  -0.02   0.03     0.22   0.07  -0.04     0.22   0.08  -0.04
    47   1     0.16   0.01  -0.07    -0.22  -0.08   0.10    -0.09  -0.07   0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1185.9456              1201.5695              1215.9509
 Red. masses --      1.5694                 1.6277                 1.5724
 Frc consts  --      1.3005                 1.3846                 1.3698
 IR Inten    --      0.2102                 0.8026                 1.0355
 RamAct Fr= 1--      5.6053                 0.6403                 2.2954
  Dep-P Fr= 1--      0.1367                 0.7320                 0.3491
  Dep-U Fr= 1--      0.2406                 0.8453                 0.5175
 Alpha2 Fr= 1--      0.0896                 0.0002                 0.0202
 Beta2  Fr= 1--      0.2248                 0.0902                 0.1980
 AlphaG Fr= 1--      0.1394                -0.0023                -0.0402
 Gamma2 Fr= 1--     -4.1425                 2.2419                -3.3142
 Delta2 Fr= 1--     -3.1834                 1.3270                -0.5107
 Raman1 Fr= 1--      22.421                  2.561                  9.182
 ROA1   Fr= 1--    -499.546                257.688               -334.505
 CID1   Fr= 1--     -22.280                100.617                -36.432
 Raman2 Fr= 1--       2.697                  1.082                  2.376
 ROA2   Fr= 1--     -73.953                 43.190                -75.455
 CID2   Fr= 1--     -27.419                 39.903                -31.758
 Raman3 Fr= 1--       5.394                  2.165                  4.752
 ROA3   Fr= 1--    -499.546                257.688               -334.505
 CID3   Fr= 1--     -92.606                119.037                -70.394
 RC180  Fr= 1--      -0.519                  0.691                  0.035
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.02    -0.05   0.00   0.02    -0.04  -0.00   0.01
     2   6    -0.03  -0.03   0.06     0.03   0.02  -0.06     0.01   0.01  -0.03
     3   6     0.03  -0.01  -0.04     0.02   0.02  -0.02     0.07   0.01  -0.06
     4   6     0.01   0.02  -0.03    -0.01  -0.02   0.04    -0.01  -0.01   0.02
     5   6    -0.01  -0.03   0.01    -0.00   0.04  -0.02    -0.01   0.04  -0.01
     6   6    -0.02   0.04  -0.01     0.03  -0.05   0.01     0.03  -0.03   0.00
     7   6     0.03  -0.03   0.00    -0.02   0.02   0.00     0.00  -0.01   0.00
     8   6     0.00   0.02  -0.03     0.02  -0.04   0.01     0.00  -0.04   0.02
     9   6    -0.05   0.01   0.05     0.03  -0.07   0.03     0.00  -0.07   0.05
    10   6     0.04  -0.00  -0.02    -0.01   0.02   0.01     0.01   0.03  -0.02
    11   6    -0.04  -0.00   0.02    -0.02  -0.02   0.02    -0.01   0.03   0.02
    12   6     0.05  -0.00  -0.05     0.03   0.07   0.02    -0.01  -0.08  -0.05
    13   6     0.03  -0.04  -0.04     0.04  -0.03  -0.06    -0.02   0.02   0.03
    14   6    -0.04  -0.00   0.04     0.01  -0.02  -0.03    -0.05   0.01   0.06
    15   6    -0.03  -0.03  -0.00    -0.03  -0.02   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.02   0.03     0.02   0.04   0.01    -0.01  -0.04  -0.02
    17   6    -0.04  -0.02   0.02    -0.04  -0.02   0.04     0.03   0.01  -0.03
    18   6     0.02   0.04   0.02     0.03   0.04   0.02    -0.03  -0.03  -0.01
    19   6     0.01  -0.03  -0.02    -0.01  -0.04  -0.03     0.02   0.03   0.03
    20   6    -0.03   0.04   0.00    -0.02   0.03   0.02     0.01  -0.01  -0.03
    21  40    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.04   0.20  -0.11    -0.03   0.17  -0.10    -0.08   0.32  -0.17
    25   1    -0.16   0.06   0.10    -0.13   0.09   0.07    -0.30   0.16   0.19
    26   1     0.07   0.01  -0.03    -0.10  -0.01   0.04    -0.05   0.00   0.01
    27   1    -0.09  -0.01   0.06     0.15   0.00  -0.07     0.18  -0.00  -0.07
    28   1     0.18  -0.23   0.03    -0.19   0.27  -0.03    -0.13   0.20  -0.02
    29   1    -0.05   0.07  -0.00     0.06  -0.08   0.01     0.05  -0.08   0.01
    30   1    -0.03  -0.07   0.05     0.05   0.09  -0.07     0.04   0.05  -0.04
    31   1     0.09   0.22  -0.16    -0.10  -0.22   0.20    -0.07  -0.11   0.15
    32   1    -0.09   0.02   0.05     0.04  -0.01  -0.00    -0.04   0.02   0.05
    33   1    -0.28   0.07   0.19     0.17  -0.05  -0.11    -0.01  -0.01   0.02
    34   1    -0.02   0.03   0.09     0.00   0.01   0.01    -0.08   0.11  -0.05
    35   1    -0.02  -0.08  -0.07    -0.16   0.20  -0.20    -0.06   0.05  -0.11
    36   1     0.03  -0.07   0.09    -0.14  -0.19  -0.17     0.09   0.09   0.14
    37   1     0.02   0.02  -0.08    -0.00  -0.01  -0.01     0.07   0.10   0.02
    38   1     0.03   0.20   0.12    -0.02  -0.14  -0.09     0.08   0.31   0.17
    39   1     0.19   0.07  -0.10    -0.13  -0.08   0.06     0.30   0.15  -0.16
    40   1    -0.11  -0.02   0.09    -0.06  -0.03   0.04     0.01   0.02   0.00
    41   1     0.12   0.00  -0.09     0.08   0.02  -0.06    -0.10  -0.03   0.07
    42   1    -0.17  -0.19  -0.03    -0.22  -0.23  -0.07     0.18   0.18   0.07
    43   1     0.02   0.01  -0.02     0.09   0.09   0.02    -0.10  -0.10  -0.04
    44   1    -0.08   0.22   0.24    -0.09   0.19   0.20     0.07  -0.11  -0.11
    45   1     0.08  -0.10  -0.13     0.03  -0.04  -0.06     0.00   0.00   0.01
    46   1     0.13   0.06  -0.03    -0.02   0.01  -0.01     0.10   0.02  -0.01
    47   1     0.29  -0.02  -0.11     0.26   0.03  -0.10    -0.06  -0.04   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1224.8508              1242.4046              1277.5573
 Red. masses --      1.3726                 1.3093                 1.2551
 Frc consts  --      1.2132                 1.1907                 1.2069
 IR Inten    --      1.0867                 0.0141                 2.5236
 RamAct Fr= 1--      1.0099                11.5037                 1.2317
  Dep-P Fr= 1--      0.4739                 0.3121                 0.6317
  Dep-U Fr= 1--      0.6431                 0.4757                 0.7742
 Alpha2 Fr= 1--      0.0056                 0.1138                 0.0026
 Beta2  Fr= 1--      0.1082                 0.9121                 0.1589
 AlphaG Fr= 1--     -0.0107                 0.0773                 0.0382
 Gamma2 Fr= 1--     -1.1260                 6.8009                 2.0284
 Delta2 Fr= 1--     -0.6826                -1.5012                 0.6723
 Raman1 Fr= 1--       4.039                 46.015                  4.927
 ROA1   Fr= 1--    -129.943                604.846                216.243
 CID1   Fr= 1--     -32.169                 13.145                 43.892
 Raman2 Fr= 1--       1.299                 10.945                  1.907
 ROA2   Fr= 1--     -21.564                175.230                 43.304
 CID2   Fr= 1--     -16.602                 16.010                 22.705
 Raman3 Fr= 1--       2.598                 21.890                  3.814
 ROA3   Fr= 1--    -129.943                604.846                216.243
 CID3   Fr= 1--     -50.023                 27.631                 56.690
 RC180  Fr= 1--       0.286                 -0.049                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.00   0.00  -0.01    -0.01   0.01   0.01
     2   6     0.04  -0.00  -0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
     3   6    -0.07   0.02   0.04     0.00  -0.01   0.00    -0.01  -0.02  -0.02
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     5   6     0.02  -0.01   0.00    -0.00  -0.00  -0.00     0.05   0.05   0.08
     6   6    -0.02  -0.01  -0.00    -0.00   0.00   0.00    -0.03  -0.04  -0.07
     7   6    -0.03   0.03   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     8   6     0.01  -0.00  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.03   0.03  -0.02    -0.03  -0.01  -0.02    -0.01   0.00  -0.00
    10   6    -0.02  -0.00   0.01     0.01  -0.02   0.10     0.00  -0.00  -0.00
    11   6    -0.02   0.01   0.02    -0.01  -0.02  -0.10     0.00  -0.00  -0.00
    12   6     0.02  -0.04  -0.03     0.03  -0.01   0.02     0.00  -0.00  -0.00
    13   6     0.04   0.00  -0.03     0.02  -0.01  -0.03     0.00  -0.00  -0.00
    14   6    -0.06  -0.02   0.05    -0.01  -0.01  -0.00     0.01  -0.00  -0.00
    15   6    -0.03  -0.02   0.01    -0.01  -0.00   0.01     0.00   0.00   0.00
    16   6     0.01  -0.01  -0.01     0.00   0.01  -0.00    -0.00  -0.00   0.00
    17   6     0.01   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00   0.00
    18   6    -0.01   0.00   0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    19   6     0.02   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.01  -0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    21  40    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.08  -0.23   0.12    -0.01   0.02  -0.02    -0.01   0.02  -0.01
    25   1     0.24  -0.12  -0.15     0.03  -0.00  -0.01    -0.02  -0.00   0.00
    26   1    -0.04  -0.02   0.04     0.02   0.01  -0.02     0.45  -0.02  -0.18
    27   1    -0.19   0.01   0.06     0.03   0.00  -0.01    -0.21   0.01   0.07
    28   1     0.02  -0.06   0.01     0.00  -0.01  -0.00    -0.04   0.21   0.02
    29   1    -0.06   0.04  -0.00     0.00   0.01  -0.00    -0.03  -0.29   0.04
    30   1     0.01   0.06  -0.03    -0.00  -0.01   0.00    -0.03   0.26   0.03
    31   1     0.00  -0.05  -0.03     0.00   0.00   0.00    -0.04  -0.16  -0.02
    32   1     0.13  -0.03  -0.09    -0.03   0.00   0.02     0.43  -0.05  -0.36
    33   1     0.13  -0.03  -0.11    -0.01   0.00   0.00    -0.29   0.04   0.25
    34   1     0.17  -0.19   0.20    -0.29   0.34  -0.47    -0.01   0.01  -0.00
    35   1    -0.16   0.21  -0.21     0.06  -0.02   0.16     0.02  -0.01   0.02
    36   1    -0.14  -0.20  -0.17    -0.08  -0.05  -0.19     0.00  -0.00  -0.00
    37   1     0.15   0.18   0.16     0.31   0.36   0.48     0.01   0.01   0.02
    38   1     0.08   0.25   0.13     0.02   0.03   0.03    -0.01   0.00  -0.00
    39   1     0.27   0.12  -0.15    -0.00   0.01  -0.01    -0.01  -0.00   0.01
    40   1    -0.08  -0.01   0.06    -0.04  -0.01   0.03     0.02   0.00  -0.01
    41   1    -0.14  -0.04   0.10    -0.05   0.00   0.04    -0.00   0.00  -0.00
    42   1     0.05   0.05   0.06    -0.00  -0.01   0.01    -0.01  -0.01  -0.01
    43   1    -0.06  -0.06  -0.03    -0.00  -0.00  -0.00     0.01   0.01   0.01
    44   1     0.03  -0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.01   0.01
    45   1     0.03  -0.04  -0.04     0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    46   1     0.10   0.03  -0.02     0.01   0.00  -0.01     0.01  -0.00  -0.01
    47   1     0.16  -0.03  -0.06     0.05  -0.00  -0.02    -0.03   0.00   0.01
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1278.2345              1290.5615              1296.8653
 Red. masses --      1.2589                 1.4231                 1.3389
 Frc consts  --      1.2119                 1.3965                 1.3267
 IR Inten    --      3.1311                 1.5080                 1.4843
 RamAct Fr= 1--      2.5703                13.0430                 6.9973
  Dep-P Fr= 1--      0.5148                 0.1948                 0.7454
  Dep-U Fr= 1--      0.6797                 0.3260                 0.8541
 Alpha2 Fr= 1--      0.0118                 0.1796                 0.0006
 Beta2  Fr= 1--      0.2912                 0.7088                 0.9961
 AlphaG Fr= 1--     -0.1306                 0.2824                 0.0097
 Gamma2 Fr= 1--     -2.7679                 8.6432                -6.5611
 Delta2 Fr= 1--     -0.9439                 2.3435                -2.7176
 Raman1 Fr= 1--      10.281                 52.172                 27.989
 ROA1   Fr= 1--    -295.923                904.742               -716.826
 CID1   Fr= 1--     -28.783                 17.342                -25.611
 Raman2 Fr= 1--       3.494                  8.505                 11.953
 ROA2   Fr= 1--     -58.878                188.690               -135.725
 CID2   Fr= 1--     -16.851                 22.185                -11.355
 Raman3 Fr= 1--       6.988                 17.010                 23.906
 ROA3   Fr= 1--    -295.923                904.742               -716.826
 CID3   Fr= 1--     -42.348                 53.187                -29.986
 RC180  Fr= 1--       0.359                 -0.348                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.04   0.01   0.01
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.03
     3   6     0.00   0.00   0.00     0.03  -0.02  -0.02    -0.02   0.02   0.01
     4   6     0.00   0.00   0.00     0.01  -0.00  -0.04    -0.01   0.00   0.04
     5   6    -0.00  -0.00  -0.00    -0.02   0.01   0.03     0.02  -0.01  -0.03
     6   6     0.00   0.00   0.00     0.04   0.01   0.01    -0.04  -0.01  -0.02
     7   6    -0.00   0.00  -0.00     0.01  -0.03   0.02     0.00   0.02  -0.03
     8   6     0.00  -0.00   0.00    -0.04   0.03   0.02     0.03  -0.03  -0.01
     9   6     0.00  -0.00   0.00     0.03   0.03  -0.04    -0.02  -0.03   0.03
    10   6     0.00   0.00   0.00    -0.03   0.00   0.00     0.02  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.03  -0.00  -0.00     0.02   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.03   0.03   0.04    -0.02   0.03   0.03
    13   6    -0.01   0.01  -0.03    -0.01   0.01   0.00    -0.03  -0.00   0.01
    14   6     0.02  -0.01   0.02    -0.04  -0.02   0.01    -0.03  -0.01   0.00
    15   6     0.00   0.01   0.00    -0.00  -0.04  -0.02     0.01  -0.03  -0.02
    16   6    -0.01  -0.00   0.00     0.04   0.03  -0.02     0.03   0.03  -0.01
    17   6    -0.02   0.01  -0.01     0.02   0.03  -0.04     0.02   0.03  -0.03
    18   6     0.05  -0.06   0.08    -0.02  -0.02   0.02    -0.02  -0.02   0.02
    19   6    -0.03   0.05  -0.07     0.05  -0.01   0.02     0.04  -0.02   0.02
    20   6    -0.01   0.01   0.01    -0.04   0.03  -0.00    -0.03   0.02  -0.00
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.01  -0.12   0.11    -0.01   0.14  -0.11
    25   1    -0.00   0.00  -0.00    -0.01  -0.03   0.04    -0.03   0.05  -0.01
    26   1    -0.02   0.00   0.01    -0.16   0.03   0.04     0.24  -0.03  -0.07
    27   1     0.01  -0.00  -0.00     0.29  -0.01  -0.10    -0.28   0.01   0.10
    28   1     0.00  -0.01  -0.00    -0.07   0.17  -0.01     0.09  -0.18   0.01
    29   1     0.00   0.01  -0.00     0.16  -0.14   0.01    -0.17   0.12  -0.01
    30   1     0.00  -0.01  -0.00    -0.08  -0.13   0.14     0.08   0.14  -0.14
    31   1     0.00   0.01   0.00     0.04   0.16  -0.05    -0.05  -0.17   0.06
    32   1    -0.02   0.00   0.01     0.01   0.03  -0.05    -0.02  -0.02   0.05
    33   1     0.02  -0.00  -0.01    -0.27   0.05   0.23     0.24  -0.04  -0.20
    34   1     0.01  -0.01  -0.02     0.06  -0.08  -0.00    -0.09   0.11  -0.13
    35   1    -0.01  -0.01  -0.00     0.07  -0.05   0.14     0.04  -0.06   0.04
    36   1     0.01   0.01   0.01    -0.09  -0.05  -0.15     0.03   0.05   0.03
    37   1     0.01   0.01  -0.00    -0.05  -0.07  -0.01    -0.11  -0.12  -0.13
    38   1    -0.00   0.02   0.02     0.01  -0.12  -0.10    -0.01  -0.14  -0.11
    39   1    -0.02  -0.01   0.02     0.01  -0.03  -0.04    -0.03  -0.05  -0.01
    40   1     0.45   0.12  -0.30     0.06   0.05  -0.03     0.09   0.06  -0.05
    41   1    -0.31  -0.08   0.22    -0.22  -0.06   0.16    -0.17  -0.04   0.12
    42   1    -0.07  -0.03  -0.12     0.15   0.15   0.10     0.17   0.17   0.10
    43   1     0.02   0.07   0.23    -0.16  -0.17  -0.04    -0.17  -0.17  -0.04
    44   1     0.03   0.13   0.23     0.02   0.07   0.11     0.01   0.07   0.11
    45   1    -0.12  -0.18  -0.25     0.10  -0.12  -0.12     0.10  -0.11  -0.11
    46   1     0.41  -0.01  -0.18    -0.07   0.05   0.04    -0.12   0.04   0.06
    47   1    -0.21   0.03   0.09     0.37  -0.03  -0.15     0.32  -0.03  -0.13
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1310.6630              1315.4691              1349.4559
 Red. masses --      1.8282                 1.7671                 1.6994
 Frc consts  --      1.8504                 1.8016                 1.8233
 IR Inten    --      4.0182                 1.5265                 0.1477
 RamAct Fr= 1--     13.2633                22.5530                 5.8435
  Dep-P Fr= 1--      0.1538                 0.0564                 0.2457
  Dep-U Fr= 1--      0.2666                 0.1067                 0.3945
 Alpha2 Fr= 1--      0.2031                 0.4388                 0.0701
 Beta2  Fr= 1--      0.5893                 0.4011                 0.3842
 AlphaG Fr= 1--      0.1320                 0.6262                -0.5775
 Gamma2 Fr= 1--     -2.4361                 1.7879                 4.7253
 Delta2 Fr= 1--     -0.5736                -1.3209                -2.1053
 Raman1 Fr= 1--      53.053                 90.212                 23.374
 ROA1   Fr= 1--    -252.218                129.373                386.260
 CID1   Fr= 1--      -4.754                  1.434                 16.525
 Raman2 Fr= 1--       7.072                  4.813                  4.610
 ROA2   Fr= 1--     -53.877                 53.477                130.249
 CID2   Fr= 1--      -7.619                 11.110                 28.251
 Raman3 Fr= 1--      14.143                  9.627                  9.221
 ROA3   Fr= 1--    -252.218                129.373                386.260
 CID3   Fr= 1--     -17.833                 13.439                 41.890
 RC180  Fr= 1--      -0.467                 -0.787                 -0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.03     0.00  -0.00   0.01    -0.07  -0.00   0.05
     2   6    -0.04  -0.03   0.06    -0.01   0.01   0.00    -0.04   0.01   0.04
     3   6    -0.09   0.01   0.06     0.02  -0.01  -0.01    -0.00  -0.00   0.01
     4   6    -0.02  -0.00  -0.03     0.00   0.00   0.01     0.01   0.00  -0.01
     5   6     0.01  -0.02   0.03    -0.00   0.00  -0.01    -0.01  -0.00  -0.02
     6   6     0.02   0.04   0.02    -0.01  -0.00  -0.01     0.01   0.02  -0.02
     7   6    -0.05   0.11  -0.04     0.01  -0.02  -0.00    -0.02   0.05  -0.02
     8   6     0.10  -0.06  -0.05    -0.02   0.01   0.01     0.02  -0.06   0.03
     9   6     0.01  -0.10   0.05     0.00   0.01  -0.01     0.06  -0.04  -0.02
    10   6     0.03  -0.00   0.02    -0.02  -0.01   0.00    -0.07   0.04  -0.04
    11   6    -0.01   0.01   0.01     0.03  -0.00   0.01     0.07   0.04   0.03
    12   6     0.01   0.03   0.00     0.01   0.09   0.05    -0.07  -0.04   0.02
    13   6    -0.03   0.00   0.02    -0.03   0.04   0.05     0.05   0.01  -0.02
    14   6    -0.02  -0.00   0.02    -0.08  -0.03   0.07     0.00  -0.01  -0.02
    15   6    -0.01  -0.02  -0.02    -0.06  -0.11  -0.03     0.01   0.04   0.03
    16   6     0.02   0.01  -0.01     0.10   0.05  -0.05    -0.01  -0.05  -0.03
    17   6    -0.00  -0.00   0.00    -0.01  -0.03   0.01     0.05  -0.00  -0.04
    18   6    -0.00  -0.01  -0.01     0.01   0.00  -0.03    -0.00   0.02   0.02
    19   6     0.00   0.01   0.00    -0.02   0.04  -0.01    -0.01   0.01  -0.01
    20   6     0.00  -0.00  -0.00     0.01  -0.02   0.01     0.00   0.00   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.06   0.11  -0.17    -0.02  -0.00   0.02    -0.03   0.12  -0.07
    25   1     0.22  -0.02  -0.21    -0.05   0.01   0.04    -0.00   0.05  -0.03
    26   1    -0.05   0.03  -0.02     0.08  -0.01  -0.02     0.41  -0.03  -0.15
    27   1     0.31  -0.00  -0.10    -0.06  -0.00   0.02     0.27  -0.01  -0.08
    28   1     0.02   0.03   0.01     0.03  -0.04   0.00     0.20  -0.20   0.02
    29   1     0.15  -0.06  -0.01    -0.05   0.03  -0.00    -0.14   0.16  -0.00
    30   1    -0.13  -0.23   0.22     0.03   0.04  -0.05     0.00  -0.09   0.01
    31   1     0.12   0.26  -0.21    -0.02  -0.06   0.04     0.01   0.02  -0.02
    32   1     0.28  -0.02  -0.27    -0.06   0.00   0.06    -0.06   0.01   0.05
    33   1     0.00  -0.01   0.01     0.01   0.00  -0.01     0.01  -0.00  -0.01
    34   1    -0.14   0.17  -0.18    -0.05   0.02  -0.08     0.04  -0.06   0.01
    35   1    -0.15   0.13  -0.23     0.10  -0.06   0.16     0.16  -0.08   0.27
    36   1     0.04   0.02   0.08    -0.17  -0.15  -0.26    -0.16  -0.09  -0.26
    37   1    -0.09  -0.08  -0.16    -0.11  -0.14  -0.12    -0.03  -0.05   0.01
    38   1     0.01  -0.03  -0.03     0.08  -0.06  -0.14     0.02   0.11   0.06
    39   1     0.05  -0.00  -0.04     0.27   0.04  -0.21     0.01   0.05   0.03
    40   1     0.05   0.01  -0.04     0.05  -0.02  -0.03    -0.26  -0.07   0.19
    41   1     0.06   0.01  -0.05     0.23   0.05  -0.18    -0.19  -0.05   0.14
    42   1     0.03   0.03  -0.00    -0.05  -0.04  -0.07    -0.19  -0.19  -0.03
    43   1    -0.01  -0.01  -0.01     0.11   0.10  -0.00     0.12   0.10   0.03
    44   1     0.02  -0.04  -0.04     0.08  -0.18  -0.21    -0.02   0.02   0.02
    45   1    -0.01   0.02   0.03    -0.12   0.15   0.16    -0.04  -0.03  -0.04
    46   1     0.07  -0.00  -0.02     0.46  -0.03  -0.19     0.03  -0.01  -0.02
    47   1    -0.01  -0.00   0.00    -0.08   0.02   0.03    -0.01   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1356.7759              1361.7742              1369.4842
 Red. masses --      1.4449                 1.4369                 1.4830
 Frc consts  --      1.5671                 1.5700                 1.6387
 IR Inten    --      0.7954                 4.3818                 1.1303
 RamAct Fr= 1--      1.2192                 3.6260                 5.3027
  Dep-P Fr= 1--      0.5285                 0.7429                 0.5766
  Dep-U Fr= 1--      0.6916                 0.8525                 0.7315
 Alpha2 Fr= 1--      0.0052                 0.0004                 0.0173
 Beta2  Fr= 1--      0.1405                 0.5152                 0.6465
 AlphaG Fr= 1--     -0.0125                 0.0177                 0.0420
 Gamma2 Fr= 1--     -1.0331                -0.7917                 5.0276
 Delta2 Fr= 1--     -0.3124                 0.4859                 3.2157
 Raman1 Fr= 1--       4.877                 14.504                 21.211
 ROA1   Fr= 1--    -109.178                -60.454                585.550
 CID1   Fr= 1--     -22.387                 -4.168                 27.606
 Raman2 Fr= 1--       1.686                  6.182                  7.757
 ROA2   Fr= 1--     -22.295                -22.887                 94.936
 CID2   Fr= 1--     -13.221                 -3.702                 12.238
 Raman3 Fr= 1--       3.373                 12.364                 15.515
 ROA3   Fr= 1--    -109.178                -60.454                585.550
 CID3   Fr= 1--     -32.371                 -4.889                 37.741
 RC180  Fr= 1--       0.383                  0.705                  0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.00   0.06    -0.03   0.00   0.02    -0.04   0.01   0.03
     2   6     0.00  -0.00   0.01     0.02  -0.02   0.00     0.01   0.02  -0.02
     3   6     0.00   0.01  -0.01    -0.00   0.02  -0.01     0.01  -0.02   0.01
     4   6     0.07  -0.01  -0.03     0.06  -0.01  -0.03    -0.06   0.02   0.03
     5   6    -0.03   0.01  -0.01    -0.02   0.01   0.01     0.00  -0.01  -0.01
     6   6     0.02   0.00  -0.03    -0.00   0.00  -0.02     0.04  -0.03   0.00
     7   6    -0.04   0.01   0.03    -0.03  -0.00   0.04     0.02  -0.00  -0.02
     8   6     0.00   0.00  -0.01     0.01   0.02  -0.03    -0.02  -0.02   0.03
     9   6     0.03  -0.01  -0.03    -0.01   0.01  -0.00     0.03  -0.01  -0.01
    10   6     0.01  -0.01   0.02     0.05  -0.03   0.03    -0.02   0.05  -0.03
    11   6    -0.02  -0.01   0.00    -0.03  -0.01  -0.03    -0.04  -0.06  -0.05
    12   6     0.05   0.02  -0.03    -0.02   0.00   0.02     0.03   0.01  -0.01
    13   6    -0.02  -0.01   0.00    -0.01  -0.01   0.01    -0.01  -0.02  -0.01
    14   6     0.00   0.00  -0.00     0.00   0.01   0.02     0.01   0.02   0.01
    15   6    -0.02  -0.02   0.00     0.04   0.00  -0.04     0.02  -0.01  -0.03
    16   6     0.00   0.01   0.01    -0.00   0.01   0.01    -0.01   0.04   0.04
    17   6    -0.07   0.00   0.04     0.07   0.00  -0.04    -0.02   0.01   0.02
    18   6     0.01  -0.02  -0.02    -0.02   0.02   0.01    -0.01   0.00  -0.01
    19   6    -0.00  -0.02   0.01     0.02   0.02  -0.02     0.03  -0.01  -0.03
    20   6     0.04   0.01  -0.02    -0.08  -0.02   0.04    -0.06  -0.01   0.03
    21  40     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.03  -0.11   0.05     0.05  -0.13   0.05    -0.05   0.08  -0.02
    25   1     0.11  -0.07  -0.05     0.11  -0.08  -0.04    -0.10   0.06   0.05
    26   1     0.43  -0.05  -0.15     0.13  -0.02  -0.04     0.20  -0.04  -0.06
    27   1     0.27   0.00  -0.09     0.09   0.00  -0.04     0.05   0.01  -0.01
    28   1     0.14  -0.11   0.01     0.01  -0.00  -0.01     0.03   0.00   0.01
    29   1    -0.17   0.13   0.01    -0.03  -0.04   0.02    -0.18   0.31  -0.03
    30   1     0.08   0.03  -0.09     0.08   0.11  -0.11    -0.07  -0.19   0.11
    31   1    -0.06  -0.06   0.08    -0.06  -0.09   0.09     0.08   0.20  -0.13
    32   1    -0.25   0.03   0.22    -0.19   0.02   0.18     0.15   0.00  -0.15
    33   1    -0.15   0.03   0.12    -0.13   0.02   0.10     0.11  -0.01  -0.11
    34   1     0.01  -0.01  -0.00    -0.01   0.04  -0.08     0.14  -0.13   0.26
    35   1    -0.11   0.12  -0.16    -0.18   0.11  -0.27     0.04  -0.04   0.07
    36   1    -0.01  -0.06   0.00     0.19   0.13   0.27     0.11   0.08   0.18
    37   1     0.01   0.02   0.00    -0.05  -0.02  -0.03     0.14   0.14   0.27
    38   1    -0.00   0.02   0.01    -0.04  -0.12  -0.06    -0.05  -0.12  -0.05
    39   1     0.04   0.01  -0.02    -0.11  -0.07   0.04    -0.10  -0.08   0.03
    40   1     0.28   0.08  -0.19    -0.27  -0.09   0.16     0.06   0.03  -0.03
    41   1     0.19   0.05  -0.14    -0.17  -0.06   0.14     0.05   0.03  -0.04
    42   1     0.16   0.15   0.02    -0.11  -0.09  -0.01     0.13   0.13   0.05
    43   1    -0.13  -0.10  -0.00     0.10   0.06  -0.03    -0.06  -0.08  -0.06
    44   1    -0.03   0.04   0.05     0.07  -0.09  -0.11     0.05  -0.05  -0.04
    45   1     0.07  -0.01  -0.02    -0.10   0.07   0.11    -0.06   0.17   0.22
    46   1    -0.21   0.02   0.09     0.37  -0.04  -0.16     0.27  -0.03  -0.12
    47   1    -0.09  -0.00   0.04     0.18  -0.01  -0.08     0.13  -0.01  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1370.8648              1374.9423              1375.3598
 Red. masses --      1.5332                 1.7070                 1.5263
 Frc consts  --      1.6976                 1.9013                 1.7011
 IR Inten    --      1.3649                 0.4529                 1.5698
 RamAct Fr= 1--     12.6545                 9.5854                 7.6606
  Dep-P Fr= 1--      0.3281                 0.3461                 0.1978
  Dep-U Fr= 1--      0.4941                 0.5142                 0.3303
 Alpha2 Fr= 1--      0.1191                 0.0852                 0.1046
 Beta2  Fr= 1--      1.0420                 0.8215                 0.4217
 AlphaG Fr= 1--     -0.0738                 0.0673                -0.1049
 Gamma2 Fr= 1--     -4.1540                -3.5449                -1.9005
 Delta2 Fr= 1--     -1.6953                -2.1911                -1.4473
 Raman1 Fr= 1--      50.618                 38.341                 30.642
 ROA1   Fr= 1--    -453.035               -410.424               -228.764
 CID1   Fr= 1--      -8.950                -10.704                 -7.466
 Raman2 Fr= 1--      12.504                  9.858                  5.061
 ROA2   Fr= 1--     -86.133                -67.549                -34.034
 CID2   Fr= 1--      -6.888                 -6.852                 -6.725
 Raman3 Fr= 1--      25.008                 19.716                 10.121
 ROA3   Fr= 1--    -453.035               -410.424               -228.764
 CID3   Fr= 1--     -18.115                -20.817                -22.603
 RC180  Fr= 1--      -0.012                  0.028                 -0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.00   0.02  -0.01     0.01  -0.01  -0.00
     2   6     0.01   0.04  -0.02     0.01  -0.03   0.01    -0.01   0.02  -0.00
     3   6     0.01  -0.03   0.02    -0.00   0.02  -0.01     0.00  -0.01   0.01
     4   6    -0.03   0.02   0.01     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6    -0.03  -0.03   0.02    -0.03  -0.03   0.02     0.01   0.01  -0.01
     6   6     0.08  -0.09  -0.00     0.03  -0.04  -0.01    -0.02   0.02   0.00
     7   6     0.05  -0.05  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.01
     8   6    -0.04   0.06  -0.00     0.02  -0.00  -0.02    -0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.02    -0.02   0.00   0.02     0.01  -0.00  -0.02
    10   6     0.03  -0.06   0.05     0.01   0.02  -0.01     0.00  -0.03   0.03
    11   6     0.02   0.05   0.03    -0.01  -0.02  -0.04     0.03   0.05   0.05
    12   6    -0.01   0.00  -0.01    -0.04  -0.02   0.04     0.01  -0.01  -0.04
    13   6    -0.01  -0.01  -0.00     0.00   0.06   0.04    -0.00  -0.05  -0.03
    14   6    -0.00   0.01   0.01    -0.02  -0.06  -0.03     0.02   0.03   0.02
    15   6     0.02   0.02  -0.00    -0.07  -0.04   0.03     0.03   0.03  -0.00
    16   6    -0.01  -0.03  -0.01     0.05   0.04  -0.03    -0.03  -0.03   0.02
    17   6     0.01   0.00  -0.01     0.05  -0.01  -0.03    -0.01   0.02   0.02
    18   6     0.01   0.01   0.01    -0.08  -0.04   0.01    -0.05  -0.01  -0.00
    19   6    -0.01   0.01   0.02     0.01  -0.05  -0.08     0.04  -0.08  -0.11
    20   6     0.01  -0.00  -0.01     0.07   0.03  -0.01    -0.02  -0.00   0.04
    21  40     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.10   0.08     0.02  -0.00  -0.02    -0.01  -0.03   0.03
    25   1    -0.07   0.01   0.06     0.04  -0.02  -0.02    -0.02   0.01   0.02
    26   1     0.13  -0.02  -0.04     0.04  -0.02  -0.02    -0.05   0.02   0.02
    27   1    -0.14   0.02   0.03    -0.03   0.02  -0.00    -0.02  -0.01   0.01
    28   1    -0.15   0.30  -0.02    -0.11   0.21  -0.01     0.04  -0.08   0.00
    29   1    -0.28   0.42  -0.04    -0.09   0.13  -0.01     0.05  -0.08   0.01
    30   1     0.00  -0.04  -0.00     0.06   0.09  -0.08    -0.02  -0.02   0.03
    31   1     0.11   0.35  -0.19     0.04   0.16  -0.08    -0.02  -0.08   0.04
    32   1     0.04   0.02  -0.06    -0.04   0.02   0.03     0.00  -0.01   0.00
    33   1     0.04   0.01  -0.08     0.01   0.01  -0.03    -0.02   0.00   0.03
    34   1    -0.12   0.12  -0.26     0.03  -0.02   0.08    -0.09   0.08  -0.18
    35   1    -0.14   0.12  -0.20     0.02  -0.04   0.02    -0.03   0.05  -0.04
    36   1    -0.06  -0.08  -0.09     0.14   0.12   0.19    -0.17  -0.15  -0.25
    37   1    -0.13  -0.12  -0.23     0.02   0.04   0.12    -0.08  -0.08  -0.20
    38   1     0.00   0.06   0.03     0.05  -0.04  -0.06    -0.02   0.07   0.06
    39   1    -0.00   0.01   0.01     0.15   0.07  -0.08    -0.06  -0.01   0.05
    40   1    -0.05  -0.02   0.02    -0.14  -0.05   0.11    -0.03   0.02   0.03
    41   1    -0.05  -0.03   0.04    -0.01   0.02  -0.00    -0.01   0.03   0.01
    42   1    -0.08  -0.08  -0.04     0.12   0.12   0.13     0.26   0.26   0.18
    43   1    -0.01  -0.00   0.01     0.28   0.27   0.10    -0.02  -0.03  -0.05
    44   1    -0.00  -0.04  -0.05    -0.09   0.36   0.43    -0.03   0.22   0.28
    45   1     0.02  -0.07  -0.09    -0.05   0.08   0.09    -0.11   0.36   0.44
    46   1    -0.07   0.01   0.03    -0.11   0.02   0.04     0.18  -0.03  -0.08
    47   1    -0.02  -0.01   0.00    -0.19   0.07   0.09    -0.10   0.05   0.05
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1377.4098              1387.1761              1392.0722
 Red. masses --      1.6630                 1.6666                 1.5793
 Frc consts  --      1.8590                 1.8895                 1.8031
 IR Inten    --      1.1936                 0.5906                 0.7540
 RamAct Fr= 1--     33.7071                 3.4962                 1.4748
  Dep-P Fr= 1--      0.2034                 0.2730                 0.1722
  Dep-U Fr= 1--      0.3380                 0.4289                 0.2939
 Alpha2 Fr= 1--      0.4537                 0.0388                 0.0215
 Beta2  Fr= 1--      1.8988                 0.2499                 0.0722
 AlphaG Fr= 1--      0.0963                 0.0125                 0.1459
 Gamma2 Fr= 1--      8.2107                -1.1919                 1.7300
 Delta2 Fr= 1--     -1.6722                -0.2417                 0.2527
 Raman1 Fr= 1--     134.829                 13.985                  5.899
 ROA1   Fr= 1--     734.722               -122.159                174.172
 CID1   Fr= 1--       5.449                 -8.735                 29.524
 Raman2 Fr= 1--      22.785                  2.999                  0.867
 ROA2   Fr= 1--     210.435                -26.673                 39.499
 CID2   Fr= 1--       9.236                 -8.893                 45.567
 Raman3 Fr= 1--      45.570                  5.998                  1.734
 ROA3   Fr= 1--     734.722               -122.159                174.172
 CID3   Fr= 1--      16.123                -20.365                100.462
 RC180  Fr= 1--      -0.324                 -0.142                 -0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.04    -0.03  -0.04   0.02     0.00   0.00  -0.00
     2   6     0.00  -0.07   0.05    -0.02   0.05  -0.02    -0.00  -0.00   0.00
     3   6    -0.02   0.05  -0.01     0.01  -0.04   0.03    -0.00   0.00   0.00
     4   6     0.05   0.00  -0.02    -0.03   0.05   0.02     0.00  -0.00  -0.00
     5   6    -0.06  -0.06   0.07    -0.02  -0.13   0.08    -0.00   0.00   0.00
     6   6     0.04  -0.05  -0.02    -0.03   0.09  -0.04     0.00  -0.00   0.00
     7   6    -0.05   0.04   0.02     0.05  -0.02  -0.04    -0.00   0.01  -0.00
     8   6     0.05  -0.03  -0.04    -0.04   0.01   0.04     0.00  -0.01   0.00
     9   6    -0.03  -0.01   0.05     0.05  -0.02  -0.04     0.00  -0.00   0.00
    10   6    -0.03   0.03  -0.05     0.00   0.00   0.02    -0.01   0.00  -0.01
    11   6     0.02   0.00   0.02    -0.01  -0.01  -0.01     0.00   0.00   0.02
    12   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.04   0.01  -0.04
    13   6     0.01  -0.03  -0.03    -0.00   0.00   0.00    -0.02  -0.06  -0.01
    14   6     0.01   0.02   0.01    -0.00  -0.00   0.00     0.01   0.04   0.03
    15   6     0.03   0.02  -0.01    -0.00  -0.01  -0.00     0.04   0.01  -0.03
    16   6    -0.03  -0.02   0.01     0.00   0.01   0.00    -0.03   0.01   0.04
    17   6    -0.03   0.01   0.02     0.00   0.00   0.00     0.01   0.02   0.04
    18   6     0.02   0.02  -0.00    -0.00  -0.01  -0.00    -0.09  -0.11  -0.05
    19   6     0.01  -0.01   0.00    -0.00   0.00   0.00     0.02   0.08   0.04
    20   6    -0.04  -0.01   0.02     0.00   0.00  -0.00    -0.04  -0.02  -0.01
    21  40    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.05   0.05  -0.07    -0.05   0.00   0.04    -0.00   0.01  -0.01
    25   1     0.12  -0.04  -0.08    -0.13   0.08   0.07     0.00   0.00  -0.01
    26   1    -0.05   0.01  -0.01     0.03   0.07  -0.03    -0.00   0.00  -0.00
    27   1    -0.06   0.03  -0.02     0.20  -0.03  -0.08    -0.01   0.00  -0.00
    28   1    -0.22   0.40  -0.03     0.14  -0.09   0.01    -0.01   0.01  -0.00
    29   1    -0.03  -0.01   0.00     0.18  -0.39   0.07    -0.00   0.00  -0.00
    30   1     0.18   0.37  -0.27     0.18   0.48  -0.32     0.00   0.00  -0.00
    31   1     0.05   0.23  -0.12     0.12   0.23  -0.27    -0.00  -0.00   0.01
    32   1    -0.17   0.02   0.15    -0.01  -0.07   0.02    -0.01   0.00   0.01
    33   1     0.00   0.02  -0.04     0.23   0.00  -0.18    -0.01   0.00   0.01
    34   1     0.00  -0.02   0.09     0.03  -0.02  -0.02    -0.01   0.00   0.02
    35   1     0.20  -0.15   0.28    -0.10   0.08  -0.12     0.05  -0.00   0.06
    36   1    -0.13  -0.08  -0.18     0.03   0.02   0.05    -0.10  -0.10  -0.13
    37   1     0.04   0.02   0.02     0.01   0.02   0.02     0.02   0.01  -0.01
    38   1    -0.02   0.03   0.04    -0.00  -0.01  -0.01    -0.05  -0.03   0.01
    39   1    -0.06  -0.02   0.04     0.00  -0.00  -0.01    -0.10  -0.06   0.04
    40   1     0.09   0.04  -0.04    -0.01  -0.01  -0.00    -0.14  -0.08   0.02
    41   1     0.02   0.02  -0.02     0.01  -0.00  -0.01     0.18   0.05  -0.08
    42   1     0.03   0.03  -0.00     0.01   0.01   0.00     0.23   0.23   0.06
    43   1    -0.14  -0.14  -0.07     0.02   0.02   0.01     0.45   0.49   0.23
    44   1     0.03  -0.08  -0.10    -0.00   0.01   0.01     0.08  -0.03  -0.01
    45   1    -0.01   0.08   0.10     0.00  -0.02  -0.02    -0.00  -0.28  -0.31
    46   1     0.11  -0.02  -0.05    -0.01   0.00   0.01     0.04   0.05   0.05
    47   1     0.06  -0.01  -0.03    -0.01   0.00   0.00     0.13   0.00  -0.09
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1409.7560              1411.9643              1467.8954
 Red. masses --      2.5840                 2.6577                 1.8940
 Frc consts  --      3.0257                 3.1218                 2.4045
 IR Inten    --      4.4355                 3.6542                 1.1600
 RamAct Fr= 1--      6.8463                 7.6824                17.8363
  Dep-P Fr= 1--      0.1940                 0.1571                 0.2468
  Dep-U Fr= 1--      0.3250                 0.2715                 0.3959
 Alpha2 Fr= 1--      0.0945                 0.1166                 0.2133
 Beta2  Fr= 1--      0.3708                 0.3477                 1.1770
 AlphaG Fr= 1--     -0.6307                -0.8694                -0.9964
 Gamma2 Fr= 1--      0.4983                -0.0679                -0.0134
 Delta2 Fr= 1--      1.2448                 0.5979                -1.0713
 Raman1 Fr= 1--      27.385                 30.729                 71.345
 ROA1   Fr= 1--      87.670                 12.614                -35.571
 CID1   Fr= 1--       3.201                  0.410                 -0.499
 Raman2 Fr= 1--       4.450                  4.172                 14.124
 ROA2   Fr= 1--       2.001                 -6.414                  8.249
 CID2   Fr= 1--       0.450                 -1.537                  0.584
 Raman3 Fr= 1--       8.900                  8.344                 28.249
 ROA3   Fr= 1--      87.670                 12.614                -35.571
 CID3   Fr= 1--       9.851                  1.512                 -1.259
 RC180  Fr= 1--      -0.350                 -0.457                 -0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.09  -0.01  -0.03     0.02   0.03  -0.04
     2   6     0.01  -0.01  -0.01    -0.12   0.13   0.02    -0.07  -0.05   0.09
     3   6     0.00   0.01  -0.01    -0.03  -0.12   0.14     0.04   0.03  -0.05
     4   6    -0.01  -0.00   0.01     0.08   0.01  -0.09    -0.00  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.02   0.02   0.01    -0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.01  -0.05   0.00    -0.02  -0.02   0.00
     7   6     0.00  -0.02   0.01     0.03   0.07  -0.10    -0.02   0.01   0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.08   0.09    -0.01  -0.06   0.05
     9   6    -0.02   0.00   0.01     0.11  -0.05  -0.09     0.05   0.07  -0.09
    10   6     0.02  -0.02   0.01    -0.01   0.02   0.01     0.00  -0.01   0.04
    11   6     0.02   0.02  -0.00    -0.01  -0.02  -0.01    -0.00  -0.01  -0.03
    12   6    -0.10  -0.04   0.07    -0.01  -0.01   0.01    -0.03   0.06   0.06
    13   6     0.12   0.12  -0.01     0.01   0.02   0.00     0.04  -0.04  -0.06
    14   6     0.03  -0.12  -0.13     0.00  -0.02  -0.02    -0.03   0.02   0.04
    15   6    -0.02   0.08   0.10    -0.01   0.00   0.01     0.02   0.01  -0.01
    16   6    -0.01  -0.09  -0.08     0.00   0.00  -0.01     0.00  -0.05  -0.04
    17   6    -0.08  -0.02   0.06    -0.01  -0.00   0.01    -0.02   0.03   0.03
    18   6    -0.02  -0.03  -0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.02
    19   6     0.02   0.02   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.09   0.02   0.06    -0.01   0.00   0.01     0.01  -0.02  -0.02
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1     0.01  -0.05   0.03    -0.08   0.19  -0.09    -0.05   0.08  -0.02
    25   1     0.00  -0.02   0.01    -0.02   0.12  -0.07    -0.03   0.02   0.02
    26   1     0.01  -0.02   0.00    -0.17   0.12   0.04    -0.01  -0.11   0.01
    27   1     0.04  -0.00   0.01    -0.43   0.01   0.08     0.02   0.01   0.11
    28   1     0.02  -0.02   0.00    -0.15   0.17  -0.03     0.09   0.13   0.12
    29   1     0.01  -0.01   0.00    -0.07   0.05  -0.00     0.16   0.07  -0.13
    30   1    -0.00  -0.01   0.00     0.01   0.05  -0.01     0.05  -0.00  -0.03
    31   1     0.00   0.00  -0.01    -0.04  -0.04   0.10    -0.01  -0.02  -0.04
    32   1     0.03   0.00  -0.03    -0.32  -0.05   0.25     0.06   0.49  -0.07
    33   1     0.03  -0.01  -0.03    -0.29   0.06   0.35    -0.22   0.06  -0.43
    34   1    -0.07   0.07  -0.05     0.06  -0.05   0.04     0.13  -0.11  -0.09
    35   1    -0.02   0.06  -0.06    -0.10   0.13  -0.13    -0.14  -0.01  -0.15
    36   1     0.08   0.10   0.09     0.05   0.07   0.09     0.13  -0.06   0.13
    37   1    -0.08  -0.06  -0.06     0.04   0.05   0.06    -0.14  -0.10   0.10
    38   1     0.08   0.20   0.11     0.01  -0.00  -0.00     0.04   0.08   0.03
    39   1    -0.01   0.11   0.09     0.00   0.01   0.00     0.02   0.01  -0.01
    40   1     0.24   0.09  -0.08     0.04   0.01  -0.02    -0.07  -0.07  -0.11
    41   1     0.31   0.15  -0.26     0.04   0.01  -0.03     0.07  -0.13   0.03
    42   1     0.17   0.18   0.03     0.01   0.02  -0.00     0.06  -0.03   0.09
    43   1     0.07   0.08   0.02     0.00  -0.00  -0.00    -0.08   0.03   0.08
    44   1     0.08  -0.10  -0.06     0.01  -0.01  -0.01    -0.01   0.01  -0.01
    45   1     0.03  -0.01  -0.02     0.01   0.00   0.00    -0.02   0.00   0.02
    46   1     0.25  -0.06  -0.20     0.03  -0.01  -0.03     0.04   0.11   0.15
    47   1     0.46  -0.06  -0.16     0.06  -0.01  -0.02    -0.08   0.16  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1470.0922              1475.7145              1478.6908
 Red. masses --      2.0393                 2.2847                 2.0221
 Frc consts  --      2.5967                 2.9315                 2.6050
 IR Inten    --      2.9983                 4.9269                 2.8716
 RamAct Fr= 1--      4.8805                30.2174                25.8867
  Dep-P Fr= 1--      0.7408                 0.3576                 0.3212
  Dep-U Fr= 1--      0.8511                 0.5268                 0.4862
 Alpha2 Fr= 1--      0.0008                 0.2588                 0.2489
 Beta2  Fr= 1--      0.6923                 2.6531                 2.0978
 AlphaG Fr= 1--     -0.0250                 0.7144                -0.0080
 Gamma2 Fr= 1--     -4.2797               -26.2291                -6.3075
 Delta2 Fr= 1--      1.9544                -4.2110                -2.1143
 Raman1 Fr= 1--      19.522                120.870                103.547
 ROA1   Fr= 1--    -348.313              -2652.747               -673.175
 CID1   Fr= 1--     -17.842                -21.947                 -6.501
 Raman2 Fr= 1--       8.308                 31.837                 25.173
 ROA2   Fr= 1--    -118.349               -595.811               -134.464
 CID2   Fr= 1--     -14.245                -18.714                 -5.342
 Raman3 Fr= 1--      16.616                 63.675                 50.346
 ROA3   Fr= 1--    -348.313              -2652.747               -673.175
 CID3   Fr= 1--     -20.962                -41.661                -13.371
 RC180  Fr= 1--       0.702                  0.054                 -0.028
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.02     0.01   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.04  -0.03   0.05    -0.02  -0.04   0.03     0.01   0.00  -0.01
     3   6     0.03   0.02  -0.03     0.13  -0.04  -0.08    -0.01   0.00   0.01
     4   6     0.00  -0.04   0.04    -0.08   0.07  -0.01     0.01  -0.01   0.00
     5   6    -0.00  -0.00   0.00     0.01  -0.02  -0.02    -0.00   0.00   0.00
     6   6    -0.02  -0.01   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
     7   6    -0.01   0.00   0.00    -0.10   0.05   0.05     0.01  -0.00  -0.01
     8   6    -0.01  -0.03   0.03     0.03  -0.12   0.06    -0.00   0.01  -0.00
     9   6     0.03   0.04  -0.06    -0.02   0.16  -0.08     0.00  -0.01   0.01
    10   6    -0.00  -0.02   0.02     0.02  -0.04   0.04    -0.01   0.02  -0.00
    11   6     0.00   0.03   0.04     0.00   0.02   0.00    -0.03  -0.05  -0.01
    12   6     0.05  -0.11  -0.11     0.01   0.00  -0.01     0.06   0.14   0.04
    13   6    -0.07   0.07   0.09    -0.01   0.00   0.01    -0.02  -0.02   0.02
    14   6     0.06  -0.03  -0.07    -0.00  -0.01  -0.00    -0.12  -0.06   0.05
    15   6    -0.04  -0.01   0.01     0.00   0.00  -0.00     0.10   0.05  -0.04
    16   6    -0.00   0.08   0.06    -0.00  -0.00   0.00    -0.03  -0.11  -0.04
    17   6     0.03  -0.04  -0.04     0.00  -0.01  -0.00     0.01  -0.03  -0.02
    18   6    -0.01   0.00   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.01
    19   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.04   0.00  -0.02
    20   6    -0.02   0.04   0.03     0.00   0.01   0.00     0.06   0.07   0.00
    21  40     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.02   0.03  -0.00    -0.04   0.20  -0.09     0.00  -0.01   0.01
    25   1    -0.02   0.01   0.01     0.15  -0.07  -0.07    -0.02   0.01   0.00
    26   1     0.01   0.01  -0.01     0.01   0.09  -0.02    -0.01   0.03   0.00
    27   1     0.00   0.01  -0.01    -0.03   0.02  -0.10    -0.01   0.00  -0.02
    28   1     0.08   0.08   0.09    -0.02   0.03  -0.01    -0.01  -0.01  -0.01
    29   1     0.11   0.05  -0.09    -0.02   0.03  -0.00    -0.01  -0.01   0.01
    30   1     0.04  -0.01  -0.02    -0.21   0.14   0.05     0.02  -0.01  -0.00
    31   1    -0.01  -0.02  -0.04     0.08   0.17   0.15    -0.01  -0.02  -0.01
    32   1     0.04   0.41  -0.05     0.01  -0.51   0.00    -0.00   0.06  -0.00
    33   1    -0.20   0.06  -0.35     0.39  -0.09   0.34    -0.05   0.01  -0.04
    34   1     0.01  -0.02  -0.04     0.10  -0.09  -0.12     0.10  -0.07  -0.02
    35   1    -0.06   0.07  -0.07    -0.11  -0.07  -0.12    -0.04  -0.11  -0.01
    36   1    -0.15  -0.02  -0.16     0.02  -0.11   0.00    -0.00   0.01   0.03
    37   1     0.12   0.10  -0.11    -0.08  -0.06   0.00     0.02  -0.00   0.02
    38   1    -0.06  -0.12  -0.04    -0.00   0.01   0.01     0.02   0.18   0.10
    39   1    -0.01  -0.01   0.01    -0.01  -0.00   0.01    -0.17  -0.07   0.08
    40   1     0.10   0.08   0.13     0.03   0.03   0.04     0.05   0.13   0.23
    41   1    -0.07   0.17  -0.05    -0.01   0.06  -0.02    -0.09   0.24  -0.05
    42   1    -0.08   0.06  -0.15    -0.01   0.03  -0.04    -0.02   0.08  -0.09
    43   1     0.14  -0.06  -0.14     0.04  -0.01  -0.03     0.13   0.00  -0.08
    44   1     0.02  -0.03  -0.00     0.02  -0.02   0.02     0.18  -0.12   0.24
    45   1     0.02  -0.01  -0.02     0.03   0.01  -0.01     0.29   0.14  -0.05
    46   1    -0.07  -0.20  -0.28    -0.03  -0.05  -0.07    -0.17  -0.24  -0.34
    47   1     0.15  -0.30   0.08     0.02  -0.08   0.03    -0.00  -0.40   0.20
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1482.5548              1484.5993              1490.4765
 Red. masses --      1.1201                 1.1029                 1.2614
 Frc consts  --      1.4506                 1.4322                 1.6511
 IR Inten    --      7.9749                10.1178                 2.4902
 RamAct Fr= 1--      7.8183                10.4594                 5.2938
  Dep-P Fr= 1--      0.6705                 0.6496                 0.6785
  Dep-U Fr= 1--      0.8027                 0.7876                 0.8084
 Alpha2 Fr= 1--      0.0110                 0.0189                 0.0067
 Beta2  Fr= 1--      1.0460                 1.3729                 0.7133
 AlphaG Fr= 1--     -0.1421                -0.1664                -0.0359
 Gamma2 Fr= 1--      2.2795                -6.9521                 0.6497
 Delta2 Fr= 1--      1.7998                -0.3268                -0.3796
 Raman1 Fr= 1--      31.273                 41.838                 21.175
 ROA1   Fr= 1--     276.430               -677.859                 50.227
 CID1   Fr= 1--       8.839                -16.202                  2.372
 Raman2 Fr= 1--      12.552                 16.475                  8.559
 ROA2   Fr= 1--      40.310               -164.236                 18.630
 CID2   Fr= 1--       3.211                 -9.969                  2.177
 Raman3 Fr= 1--      25.104                 32.949                 17.119
 ROA3   Fr= 1--     276.430               -677.859                 50.227
 CID3   Fr= 1--      11.011                -20.573                  2.934
 RC180  Fr= 1--       0.605                  0.575                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.05    -0.01   0.01  -0.01     0.00   0.02  -0.03
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02   0.04
     3   6     0.02  -0.02  -0.01    -0.00  -0.00   0.00    -0.02   0.05  -0.02
     4   6    -0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     6   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
     7   6    -0.02   0.01   0.02     0.00   0.00  -0.00     0.02  -0.02  -0.00
     8   6     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.01
     9   6    -0.01  -0.00   0.01    -0.00   0.01  -0.01     0.04  -0.03  -0.01
    10   6    -0.00   0.02   0.01     0.00  -0.01  -0.00    -0.02   0.05   0.03
    11   6    -0.00  -0.03   0.01     0.00   0.01   0.00    -0.01  -0.05   0.03
    12   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.02   0.02   0.00
    13   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
    14   6    -0.01  -0.01  -0.00    -0.02  -0.01   0.00     0.00  -0.02  -0.02
    15   6     0.00   0.00   0.00     0.02   0.00  -0.01     0.00   0.01   0.01
    16   6    -0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.00  -0.01  -0.01
    17   6    -0.00  -0.01  -0.00    -0.00  -0.06  -0.02     0.01   0.00  -0.00
    18   6     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01  -0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.02    -0.00  -0.01   0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.01  -0.02   0.00    -0.00   0.01  -0.00     0.00  -0.05   0.03
    25   1     0.05  -0.03  -0.03    -0.01   0.01   0.00    -0.06   0.02   0.04
    26   1    -0.00   0.54  -0.10     0.00  -0.14   0.03     0.03  -0.19   0.02
    27   1    -0.19   0.02  -0.52     0.05  -0.01   0.13     0.06  -0.00   0.18
    28   1    -0.05  -0.06  -0.06     0.02   0.02   0.02     0.08   0.09   0.10
    29   1    -0.08  -0.02   0.06     0.03   0.01  -0.02     0.10   0.07  -0.10
    30   1    -0.11   0.05   0.04     0.04  -0.02  -0.01     0.03  -0.02  -0.01
    31   1     0.04   0.06   0.09    -0.01  -0.02  -0.04    -0.02  -0.03  -0.01
    32   1     0.01   0.20  -0.03    -0.01  -0.01   0.00     0.01  -0.22   0.02
    33   1    -0.12   0.04  -0.15     0.00   0.00   0.01     0.16  -0.05   0.15
    34   1     0.10  -0.06  -0.12    -0.03   0.02   0.03     0.26  -0.18  -0.25
    35   1    -0.08  -0.17  -0.03     0.01   0.06  -0.00    -0.21  -0.31  -0.12
    36   1    -0.10   0.21  -0.05     0.01  -0.03   0.00    -0.21   0.36  -0.12
    37   1     0.15   0.08  -0.16    -0.02  -0.01   0.02     0.29   0.18  -0.27
    38   1    -0.00   0.02  -0.00    -0.01  -0.03  -0.01     0.01   0.03   0.02
    39   1    -0.01  -0.00   0.00    -0.04  -0.02   0.02    -0.01   0.00   0.01
    40   1     0.02   0.04   0.05     0.21   0.28   0.40    -0.02  -0.04  -0.04
    41   1    -0.01   0.07  -0.02    -0.19   0.49  -0.10     0.04  -0.05  -0.01
    42   1     0.01  -0.02   0.03    -0.02  -0.00  -0.03    -0.00   0.00  -0.00
    43   1    -0.02   0.01   0.03     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    44   1    -0.01   0.01  -0.01     0.06  -0.06   0.06    -0.05   0.05  -0.05
    45   1    -0.01  -0.00   0.00     0.10   0.04  -0.02    -0.07  -0.03   0.02
    46   1     0.06   0.11   0.14     0.14   0.24   0.31     0.04   0.06   0.07
    47   1    -0.01   0.17  -0.07    -0.04   0.37  -0.15     0.02   0.10  -0.05
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1495.7286              1496.6611              1498.6090
 Red. masses --      1.1339                 1.1499                 1.9165
 Frc consts  --      1.4946                 1.5176                 2.5359
 IR Inten    --      7.1123                 3.3916                 2.8680
 RamAct Fr= 1--      7.9284                17.4629                32.2138
  Dep-P Fr= 1--      0.7139                 0.5265                 0.1263
  Dep-U Fr= 1--      0.8331                 0.6898                 0.2242
 Alpha2 Fr= 1--      0.0049                 0.0758                 0.5286
 Beta2  Fr= 1--      1.1008                 2.0077                 1.2040
 AlphaG Fr= 1--      0.0070                -0.0981                -0.2803
 Gamma2 Fr= 1--     13.8069               -20.7709                 9.6854
 Delta2 Fr= 1--      6.6646                -5.9031                 3.7910
 Raman1 Fr= 1--      31.714                 69.852                128.855
 ROA1   Fr= 1--    1538.734              -2182.903               1051.104
 CID1   Fr= 1--      48.519                -31.251                  8.157
 Raman2 Fr= 1--      13.210                 24.092                 14.447
 ROA2   Fr= 1--     278.049               -451.276                202.121
 CID2   Fr= 1--      21.048                -18.731                 13.990
 Raman3 Fr= 1--      26.420                 48.184                 28.895
 ROA3   Fr= 1--    1538.734              -2182.903               1051.104
 CID3   Fr= 1--      58.241                -45.304                 36.377
 RC180  Fr= 1--       0.666                  0.380                 -0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01     0.00   0.01  -0.01     0.02  -0.00  -0.01
     2   6    -0.01   0.00   0.01     0.00  -0.01   0.00    -0.03  -0.03   0.06
     3   6    -0.00   0.01  -0.01     0.00  -0.00  -0.00    -0.04   0.07  -0.02
     4   6     0.00   0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
     5   6     0.01  -0.02  -0.02    -0.01   0.02   0.02     0.00   0.00  -0.01
     6   6    -0.04  -0.03  -0.00     0.04   0.03   0.00     0.00  -0.01   0.00
     7   6     0.00  -0.01   0.01    -0.00   0.01  -0.00     0.04  -0.03  -0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.02   0.01    -0.02   0.05  -0.02
     9   6     0.02  -0.03   0.00    -0.01   0.03  -0.01     0.05  -0.07   0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.02    -0.02   0.05   0.02
    11   6     0.00  -0.00   0.00     0.01   0.01   0.01     0.03   0.05  -0.02
    12   6    -0.02  -0.03  -0.00    -0.02  -0.04  -0.01    -0.08  -0.06   0.02
    13   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.06  -0.06  -0.09
    14   6    -0.00   0.01   0.01     0.02   0.02   0.00     0.04   0.10   0.04
    15   6    -0.00  -0.01  -0.01    -0.01  -0.01   0.00    -0.05  -0.04   0.01
    16   6     0.00   0.02   0.01     0.01   0.03   0.01     0.03   0.05   0.01
    17   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.03  -0.01   0.03
    18   6     0.01   0.01  -0.03     0.01   0.01  -0.03    -0.01  -0.01   0.02
    19   6    -0.04   0.01  -0.02    -0.04   0.01  -0.01    -0.01   0.01   0.01
    20   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.01  -0.06   0.03    -0.02   0.05  -0.02     0.01  -0.10   0.06
    25   1    -0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.08   0.02   0.06
    26   1     0.02   0.07  -0.02    -0.01  -0.09   0.02     0.00   0.15  -0.04
    27   1    -0.03  -0.00  -0.06     0.04   0.00   0.09    -0.07   0.02  -0.14
    28   1     0.25   0.16   0.24    -0.27  -0.17  -0.26    -0.04  -0.00  -0.02
    29   1     0.25   0.15  -0.24    -0.27  -0.16   0.26    -0.03   0.00   0.02
    30   1    -0.18   0.13   0.03     0.21  -0.15  -0.04    -0.09   0.04   0.03
    31   1     0.05   0.09   0.19    -0.05  -0.10  -0.22     0.01   0.02   0.12
    32   1    -0.01  -0.07   0.02     0.02   0.03  -0.02     0.02  -0.13   0.00
    33   1     0.05  -0.02   0.05    -0.01   0.01  -0.02     0.11  -0.04   0.08
    34   1    -0.10   0.07   0.10     0.09  -0.06  -0.12     0.20  -0.12  -0.24
    35   1     0.06   0.15   0.03    -0.08  -0.13  -0.05    -0.18  -0.25  -0.09
    36   1    -0.02   0.08  -0.01    -0.04   0.08  -0.03     0.17  -0.16   0.11
    37   1     0.05   0.03  -0.05     0.05   0.03  -0.07    -0.19  -0.11   0.20
    38   1    -0.02  -0.06  -0.03    -0.01  -0.06  -0.03    -0.00  -0.10  -0.07
    39   1    -0.00  -0.01  -0.00     0.02   0.00  -0.01     0.12   0.03  -0.08
    40   1    -0.03  -0.03  -0.03    -0.02  -0.02  -0.03     0.10   0.14   0.18
    41   1     0.01  -0.04   0.01     0.03  -0.03  -0.01    -0.06   0.25  -0.05
    42   1     0.06  -0.19   0.25     0.05  -0.17   0.22    -0.03   0.17  -0.19
    43   1    -0.20   0.12   0.23    -0.17   0.11   0.21     0.17  -0.06  -0.16
    44   1     0.24  -0.22   0.21     0.22  -0.21   0.18     0.08  -0.09   0.03
    45   1     0.34   0.18  -0.05     0.31   0.16  -0.05     0.10   0.03  -0.04
    46   1     0.01  -0.02  -0.03     0.01  -0.02  -0.04    -0.10  -0.12  -0.12
    47   1    -0.01  -0.03   0.01    -0.00  -0.04   0.01    -0.05  -0.20   0.09
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1502.2631              1504.5255              1505.3799
 Red. masses --      2.0330                 1.1000                 1.1509
 Frc consts  --      2.7032                 1.4671                 1.5366
 IR Inten    --      9.3296                10.9282                 2.8736
 RamAct Fr= 1--      8.2872                 2.5467                 4.6869
  Dep-P Fr= 1--      0.4149                 0.1788                 0.4930
  Dep-U Fr= 1--      0.5865                 0.3034                 0.6604
 Alpha2 Fr= 1--      0.0582                 0.0366                 0.0239
 Beta2  Fr= 1--      0.8101                 0.1288                 0.5159
 AlphaG Fr= 1--      0.0756                -0.0343                -0.1816
 Gamma2 Fr= 1--     -3.5655                 0.9489                -3.3247
 Delta2 Fr= 1--      2.8550                -0.6887                -0.9141
 Raman1 Fr= 1--      33.149                 10.187                 18.748
 ROA1   Fr= 1--    -250.927                 69.056               -348.424
 CID1   Fr= 1--      -7.570                  6.779                -18.585
 Raman2 Fr= 1--       9.721                  1.545                  6.191
 ROA2   Fr= 1--    -108.412                 28.284                -72.481
 CID2   Fr= 1--     -11.153                 18.306                -11.708
 Raman3 Fr= 1--      19.441                  3.090                 12.381
 ROA3   Fr= 1--    -250.927                 69.056               -348.424
 CID3   Fr= 1--     -12.907                 22.347                -28.141
 RC180  Fr= 1--       0.173                 -0.393                  0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03     0.00   0.00  -0.00     0.01  -0.02   0.02
     2   6    -0.08  -0.06   0.11    -0.00  -0.00   0.01     0.01  -0.01   0.00
     3   6    -0.03   0.10  -0.05    -0.01   0.01  -0.00    -0.01   0.01  -0.00
     4   6     0.00  -0.02   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.03     0.00  -0.00  -0.01    -0.02   0.04   0.03
     6   6     0.04   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.01
     7   6     0.04  -0.04  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
     8   6    -0.03   0.05  -0.01    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.09  -0.06  -0.04     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.01  -0.00    -0.00   0.01   0.00    -0.00   0.02   0.00
    11   6    -0.01   0.02  -0.01     0.00   0.00  -0.00     0.00   0.03  -0.01
    12   6     0.07   0.02  -0.05    -0.00   0.00   0.00     0.03   0.00  -0.03
    13   6    -0.06   0.05   0.08     0.00  -0.01  -0.00    -0.03   0.02   0.04
    14   6    -0.02  -0.08  -0.04    -0.01   0.01   0.01     0.00  -0.03  -0.02
    15   6     0.03   0.03  -0.00     0.01  -0.00  -0.01     0.01   0.01   0.00
    16   6    -0.02  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.00
    17   6     0.02  -0.00  -0.02    -0.00  -0.03  -0.01     0.01  -0.00  -0.01
    18   6     0.01   0.01  -0.00     0.02   0.00  -0.06     0.00   0.00  -0.01
    19   6    -0.01  -0.01  -0.01     0.05   0.00   0.01     0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.01   0.02   0.01    -0.00   0.00   0.00
    21  40     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.12   0.08     0.00  -0.01   0.01    -0.00   0.00  -0.00
    25   1    -0.11   0.03   0.08    -0.01   0.01   0.01    -0.02   0.01   0.01
    26   1    -0.00   0.11  -0.03     0.00  -0.01   0.00    -0.02   0.26  -0.04
    27   1    -0.04   0.02  -0.10     0.00   0.00   0.01    -0.10   0.01  -0.25
    28   1    -0.25  -0.13  -0.23    -0.02  -0.01  -0.02     0.14   0.11   0.16
    29   1    -0.25  -0.12   0.21    -0.02  -0.01   0.02     0.17   0.11  -0.15
    30   1    -0.23   0.12   0.07    -0.05   0.03   0.01     0.40  -0.27  -0.10
    31   1     0.06   0.09   0.24     0.01   0.02   0.06    -0.13  -0.23  -0.39
    32   1     0.05  -0.10  -0.02     0.00  -0.00  -0.00     0.00  -0.14   0.01
    33   1     0.14  -0.06   0.03     0.01  -0.00  -0.00     0.09  -0.02   0.11
    34   1    -0.05   0.02   0.12     0.03  -0.02  -0.02     0.07  -0.04  -0.08
    35   1     0.02   0.20  -0.01    -0.02  -0.02  -0.02    -0.05  -0.11  -0.01
    36   1     0.07  -0.32   0.02     0.02  -0.02   0.01     0.09  -0.28   0.04
    37   1    -0.13  -0.06   0.22    -0.02  -0.01   0.03    -0.16  -0.09   0.18
    38   1    -0.01   0.06   0.05    -0.00  -0.00  -0.00    -0.00   0.03   0.02
    39   1    -0.10  -0.03   0.06    -0.00  -0.01  -0.00    -0.03  -0.00   0.02
    40   1    -0.04  -0.08  -0.11     0.10   0.14   0.20    -0.00  -0.02  -0.03
    41   1     0.04  -0.14   0.02    -0.09   0.24  -0.06     0.02  -0.03  -0.01
    42   1    -0.01  -0.07   0.06     0.12  -0.27   0.36     0.01  -0.07   0.07
    43   1    -0.06   0.00   0.04    -0.31   0.17   0.35    -0.07   0.03   0.07
    44   1     0.01  -0.00   0.04    -0.21   0.20  -0.22    -0.00   0.00  -0.00
    45   1     0.03   0.03   0.01    -0.34  -0.17   0.05    -0.00   0.00   0.00
    46   1     0.10   0.12   0.13    -0.08  -0.12  -0.16     0.03   0.03   0.03
    47   1     0.05   0.20  -0.09     0.02  -0.19   0.08     0.03   0.05  -0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1506.3614              1526.3036              1526.8891
 Red. masses --      1.3997                 4.3122                 4.1883
 Frc consts  --      1.8713                 5.9187                 5.7532
 IR Inten    --      1.1865                 8.0046                 2.8369
 RamAct Fr= 1--     17.8360                 3.0695                17.4497
  Dep-P Fr= 1--      0.7226                 0.7461                 0.7371
  Dep-U Fr= 1--      0.8390                 0.8546                 0.8486
 Alpha2 Fr= 1--      0.0084                 0.0002                 0.0038
 Beta2  Fr= 1--      2.4940                 0.4372                 2.4681
 AlphaG Fr= 1--      0.1446                 0.0001                 0.1126
 Gamma2 Fr= 1--     10.7455                 6.2576               -11.8711
 Delta2 Fr= 1--      4.6437                 2.3345                -4.1811
 Raman1 Fr= 1--      71.344                 12.278                 69.799
 ROA1   Fr= 1--    1180.164                675.430              -1273.422
 CID1   Fr= 1--      16.542                 55.011                -18.244
 Raman2 Fr= 1--      29.928                  5.246                 29.617
 ROA2   Fr= 1--     220.741                131.506               -251.458
 CID2   Fr= 1--       7.376                 25.067                 -8.490
 Raman3 Fr= 1--      59.856                 10.492                 59.234
 ROA3   Fr= 1--    1180.164                675.430              -1273.422
 CID3   Fr= 1--      19.717                 64.373                -21.498
 RC180  Fr= 1--       0.678                  0.709                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00  -0.01     0.04  -0.01  -0.02    -0.03   0.01   0.02
     2   6    -0.05  -0.03   0.07    -0.11   0.12   0.02     0.10  -0.12  -0.00
     3   6     0.02   0.04  -0.05     0.18  -0.09  -0.08    -0.18   0.10   0.07
     4   6    -0.02   0.01   0.01    -0.06   0.03   0.03     0.06  -0.03  -0.03
     5   6    -0.01   0.03   0.02    -0.00   0.00   0.01     0.00   0.00  -0.01
     6   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
     7   6    -0.00  -0.02   0.01    -0.12   0.02   0.10     0.12  -0.02  -0.10
     8   6    -0.01   0.01   0.00     0.01   0.08  -0.08    -0.02  -0.08   0.08
     9   6     0.05  -0.00  -0.05     0.06  -0.14   0.04    -0.05   0.14  -0.05
    10   6     0.00  -0.05  -0.01    -0.02   0.04  -0.02     0.02  -0.06   0.01
    11   6    -0.00  -0.04   0.01    -0.02  -0.04  -0.02    -0.02  -0.05  -0.01
    12   6    -0.03   0.00   0.03     0.07   0.14   0.03     0.06   0.13   0.04
    13   6     0.04  -0.02  -0.05    -0.13  -0.11   0.02    -0.11  -0.10   0.01
    14   6    -0.02   0.02   0.03     0.19   0.08  -0.09     0.18   0.08  -0.08
    15   6     0.01  -0.01  -0.01    -0.13  -0.01   0.10    -0.13  -0.02   0.10
    16   6     0.01   0.00  -0.00     0.01  -0.08  -0.07     0.02  -0.08  -0.07
    17   6    -0.01  -0.00   0.01     0.04   0.01  -0.02     0.04   0.01  -0.02
    18   6    -0.00  -0.00   0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    19   6     0.01   0.00   0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    20   6     0.01   0.01  -0.01    -0.07  -0.02   0.02    -0.06  -0.02   0.02
    21  40    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.05   0.04     0.11  -0.26   0.10    -0.11   0.25  -0.09
    25   1    -0.02  -0.01   0.03     0.27  -0.19  -0.11    -0.28   0.20   0.12
    26   1     0.00   0.16  -0.04    -0.05  -0.11   0.04     0.04   0.14  -0.05
    27   1    -0.05   0.01  -0.16    -0.10  -0.03   0.22     0.09   0.03  -0.25
    28   1    -0.06  -0.01  -0.04    -0.01  -0.02  -0.02    -0.00   0.02   0.01
    29   1    -0.04  -0.00   0.03    -0.02  -0.02   0.02     0.01   0.02  -0.01
    30   1     0.24  -0.18  -0.05     0.09  -0.04  -0.03    -0.08   0.03   0.03
    31   1    -0.08  -0.13  -0.24    -0.01  -0.02  -0.13     0.01   0.01   0.12
    32   1     0.04  -0.14  -0.02     0.01   0.06  -0.03    -0.01  -0.06   0.03
    33   1     0.14  -0.04   0.07    -0.00   0.02  -0.07     0.01  -0.02   0.07
    34   1    -0.25   0.15   0.30    -0.02   0.02   0.07    -0.08   0.02   0.13
    35   1     0.15   0.46   0.03     0.03   0.05   0.03     0.06   0.14   0.01
    36   1    -0.09   0.33  -0.02     0.03  -0.07   0.03    -0.04   0.07  -0.01
    37   1     0.18   0.09  -0.20    -0.02  -0.02   0.08     0.04  -0.00  -0.09
    38   1    -0.00  -0.03  -0.03     0.11   0.26   0.10     0.10   0.24   0.09
    39   1     0.00  -0.01  -0.01     0.29   0.19  -0.09     0.28   0.19  -0.09
    40   1     0.02   0.04   0.06    -0.02   0.07   0.16    -0.03   0.05   0.14
    41   1    -0.04   0.07   0.01    -0.18   0.14   0.07    -0.16   0.11   0.08
    42   1    -0.01   0.06  -0.06     0.02  -0.02   0.04     0.02  -0.01   0.03
    43   1     0.06  -0.02  -0.05    -0.03   0.03   0.05    -0.02   0.02   0.03
    44   1    -0.04   0.05  -0.04     0.09  -0.10   0.03     0.08  -0.09   0.04
    45   1    -0.07  -0.04   0.01     0.10   0.03  -0.03     0.10   0.04  -0.03
    46   1    -0.05  -0.04  -0.04     0.00  -0.03  -0.02     0.00  -0.03  -0.02
    47   1    -0.04  -0.08   0.05     0.06  -0.03  -0.03     0.05  -0.03  -0.03
                    112                    113                    114
                      A                      A                      A
 Frequencies --   2995.4055              3011.2412              3012.1529
 Red. masses --      1.0732                 1.0713                 1.0691
 Frc consts  --      5.6732                 5.7232                 5.7152
 IR Inten    --     26.6144                27.2367                36.9672
 RamAct Fr= 1--    252.9079               247.4473               170.8548
  Dep-P Fr= 1--      0.2218                 0.2481                 0.1768
  Dep-U Fr= 1--      0.3630                 0.3975                 0.3004
 Alpha2 Fr= 1--      3.2399                 2.9487                 2.4659
 Beta2  Fr= 1--     15.3015                16.3938                 8.5553
 AlphaG Fr= 1--     -5.2736                 2.3313                -0.6980
 Gamma2 Fr= 1--    -14.2695                 0.4281                -6.6412
 Delta2 Fr= 1--     11.2878               -10.3057                 0.4528
 Raman1 Fr= 1--    1011.632                989.789                683.419
 ROA1   Fr= 1--   -1008.659               -288.684               -623.067
 CID1   Fr= 1--      -0.997                 -0.292                 -0.912
 Raman2 Fr= 1--     183.618                196.726                102.664
 ROA2   Fr= 1--    -432.769                 92.720               -163.011
 CID2   Fr= 1--      -2.357                  0.471                 -1.588
 Raman3 Fr= 1--     367.237                393.452                205.328
 ROA3   Fr= 1--   -1008.659               -288.684               -623.067
 CID3   Fr= 1--      -2.747                 -0.734                 -3.034
 RC180  Fr= 1--      -0.274                 -0.205                 -0.399
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.04   0.01  -0.06    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.03  -0.07   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.05  -0.04   0.04
    20   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    21  40    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.02     0.00   0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    29   1    -0.00  -0.00  -0.00    -0.02  -0.01  -0.03    -0.01  -0.00  -0.01
    30   1     0.00   0.00   0.00    -0.04  -0.03  -0.07    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.08   0.04   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00     0.61   0.09   0.74     0.02   0.00   0.02
    33   1     0.00   0.00   0.00    -0.06  -0.20  -0.03    -0.00  -0.01  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    38   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    39   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    40   1    -0.44   0.78  -0.38    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    41   1     0.09   0.03   0.13     0.00   0.00   0.00    -0.00  -0.00  -0.01
    42   1     0.05  -0.04  -0.04    -0.00   0.00   0.00     0.04  -0.02  -0.03
    43   1     0.04  -0.06   0.06    -0.00   0.00  -0.00     0.05  -0.09   0.08
    44   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.20  -0.18   0.10
    45   1     0.01  -0.01   0.01     0.01  -0.02   0.02    -0.35   0.62  -0.60
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.09   0.06
    47   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.03   0.08
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3015.3944              3021.3914              3026.9659
 Red. masses --      1.0697                 1.0599                 1.0674
 Frc consts  --      5.7304                 5.7005                 5.7622
 IR Inten    --     25.7680                17.1308                18.0274
 RamAct Fr= 1--    213.1954                33.2206                81.0517
  Dep-P Fr= 1--      0.1192                 0.0971                 0.6853
  Dep-U Fr= 1--      0.2130                 0.1770                 0.8133
 Alpha2 Fr= 1--      3.5606                 0.5858                 0.0922
 Beta2  Fr= 1--      7.5670                 0.9802                10.9864
 AlphaG Fr= 1--      0.2027                -0.7779                 0.1160
 Gamma2 Fr= 1--      3.9360               -14.6399                43.9368
 Delta2 Fr= 1--     -4.9136                 0.3906                -2.3353
 Raman1 Fr= 1--     852.782                132.883                324.207
 ROA1   Fr= 1--     220.622              -1392.929               4143.202
 CID1   Fr= 1--       0.259                -10.482                 12.780
 Raman2 Fr= 1--      90.804                 11.763                131.836
 ROA2   Fr= 1--     133.773               -354.482               1073.166
 CID2   Fr= 1--       1.473                -30.136                  8.140
 Raman3 Fr= 1--     181.608                 23.526                263.673
 ROA3   Fr= 1--     220.622              -1392.929               4143.202
 CID3   Fr= 1--       1.215                -59.209                 15.713
 RC180  Fr= 1--      -0.574                 -0.646                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.02   0.03  -0.05    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.04    -0.02  -0.01  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.02
    11   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.04  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.16  -0.09  -0.37     0.28   0.17   0.67     0.04   0.03   0.10
    27   1    -0.00  -0.00   0.01    -0.03  -0.52  -0.05    -0.00  -0.06  -0.01
    28   1     0.13   0.07  -0.23     0.13   0.07  -0.21     0.02   0.01  -0.03
    29   1     0.39   0.32   0.70     0.12   0.10   0.23     0.01   0.01   0.02
    30   1    -0.05  -0.04  -0.09    -0.02  -0.01  -0.03    -0.00  -0.00  -0.00
    31   1    -0.06   0.02   0.00    -0.03   0.01   0.00    -0.01   0.00   0.00
    32   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.07  -0.08  -0.01     0.50   0.56   0.07
    35   1     0.00  -0.00  -0.00     0.02  -0.00  -0.02    -0.18   0.03   0.14
    36   1    -0.01  -0.00   0.01     0.05   0.01  -0.04    -0.17  -0.02   0.13
    37   1     0.01  -0.01   0.00    -0.05   0.05  -0.01     0.36  -0.41   0.06
    38   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    41   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    42   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    43   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3035.3415              3039.4306              3040.7974
 Red. masses --      1.0701                 1.0616                 1.0602
 Frc consts  --      5.8089                 5.7784                 5.7756
 IR Inten    --     64.6112                14.4282                27.5564
 RamAct Fr= 1--    440.5884               172.7097               109.3157
  Dep-P Fr= 1--      0.1456                 0.0332                 0.7489
  Dep-U Fr= 1--      0.2541                 0.0643                 0.8564
 Alpha2 Fr= 1--      6.8880                 3.5501                 0.0021
 Beta2  Fr= 1--     18.6610                 1.8505                15.6033
 AlphaG Fr= 1--      4.9736                 3.0733                -0.0916
 Gamma2 Fr= 1--      1.0962               -12.3283                22.7879
 Delta2 Fr= 1--      9.6863               -13.2959                 0.3371
 Raman1 Fr= 1--    1762.354                690.839                437.263
 ROA1   Fr= 1--     415.193              -1608.986               2198.425
 CID1   Fr= 1--       0.236                 -2.329                  5.028
 Raman2 Fr= 1--     223.932                 22.206                187.240
 ROA2   Fr= 1--     -51.182               -189.513                544.212
 CID2   Fr= 1--      -0.229                 -8.534                  2.906
 Raman3 Fr= 1--     447.863                 44.413                374.480
 ROA3   Fr= 1--     415.193              -1608.986               2198.425
 CID3   Fr= 1--       0.927                -36.228                  5.871
 RC180  Fr= 1--      -0.492                 -0.871                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.02  -0.04  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.03  -0.05   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    18   6    -0.00   0.00  -0.00    -0.01  -0.00   0.03    -0.02  -0.01   0.05
    19   6     0.00  -0.00   0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01     0.00   0.04   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.02   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1     0.01   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    34   1     0.38   0.42   0.06     0.01   0.01   0.00     0.02   0.03   0.00
    35   1    -0.11   0.02   0.08     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    36   1     0.19   0.03  -0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.50   0.57  -0.09     0.00  -0.00   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    41   1    -0.02  -0.01  -0.03     0.06   0.03   0.09     0.09   0.06   0.15
    42   1    -0.01   0.00   0.00     0.26  -0.18  -0.18     0.43  -0.30  -0.29
    43   1     0.01  -0.01   0.01    -0.14   0.23  -0.20    -0.23   0.37  -0.33
    44   1     0.00   0.00  -0.00    -0.19  -0.15   0.08    -0.06  -0.05   0.03
    45   1    -0.00   0.00  -0.00     0.02  -0.02   0.02    -0.00   0.01  -0.01
    46   1    -0.00   0.01  -0.01    -0.14   0.46  -0.34     0.09  -0.31   0.23
    47   1     0.00   0.00   0.01     0.21   0.18   0.49    -0.14  -0.12  -0.32
                    121                    122                    123
                      A                      A                      A
 Frequencies --   3045.2407              3052.5407              3063.0044
 Red. masses --      1.0627                 1.0968                 1.0877
 Frc consts  --      5.8064                 6.0215                 6.0127
 IR Inten    --     22.2354                28.4584                30.9031
 RamAct Fr= 1--    147.6022                91.2927                31.5247
  Dep-P Fr= 1--      0.3005                 0.2215                 0.2366
  Dep-U Fr= 1--      0.4621                 0.3627                 0.3826
 Alpha2 Fr= 1--      1.5117                 1.1702                 0.3878
 Beta2  Fr= 1--     11.3680                 5.5188                 2.0102
 AlphaG Fr= 1--     -0.1358                -2.3547                -0.1338
 Gamma2 Fr= 1--    -40.0605               -13.5312                 0.7188
 Delta2 Fr= 1--     -3.8726                -2.4257                 3.2462
 Raman1 Fr= 1--     590.409                365.171                126.099
 ROA1   Fr= 1--   -3969.731              -1376.622                172.880
 CID1   Fr= 1--      -6.724                 -3.770                  1.371
 Raman2 Fr= 1--     136.416                 66.226                 24.123
 ROA2   Fr= 1--    -930.472               -305.344                 -8.720
 CID2   Fr= 1--      -6.821                 -4.611                 -0.361
 Raman3 Fr= 1--     272.833                132.451                 48.246
 ROA3   Fr= 1--   -3969.731              -1376.622                172.880
 CID3   Fr= 1--     -14.550                -10.393                  3.583
 RC180  Fr= 1--      -0.076                 -0.275                 -0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02  -0.08  -0.04     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.03   0.04   0.04     0.00   0.00   0.01    -0.00   0.00   0.00
     6   6     0.01   0.00  -0.02    -0.02  -0.01   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.04  -0.02  -0.06
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    20   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    21  40     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01   0.01   0.03     0.17   0.08   0.40     0.00   0.00   0.00
    27   1    -0.00  -0.04  -0.00     0.03   0.84   0.06     0.00  -0.01  -0.00
    28   1    -0.15  -0.07   0.23     0.12   0.06  -0.19     0.01   0.00  -0.01
    29   1     0.04   0.03   0.06     0.06   0.05   0.12    -0.00  -0.00  -0.00
    30   1    -0.32  -0.22  -0.49    -0.05  -0.03  -0.08    -0.00  -0.00  -0.00
    31   1     0.66  -0.26  -0.00     0.01  -0.01   0.00     0.00  -0.00  -0.00
    32   1     0.02  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1     0.02   0.10   0.01     0.00   0.02   0.00    -0.00  -0.00  -0.00
    34   1     0.01   0.01   0.00    -0.02  -0.01  -0.00     0.06   0.07   0.01
    35   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.16  -0.04  -0.13
    36   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.07  -0.01   0.06
    37   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.03  -0.01
    38   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.04  -0.10   0.03
    41   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.47   0.28   0.71
    42   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.17   0.11   0.12
    43   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    44   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.15   0.12  -0.07
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.04  -0.04
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.05   0.03
    47   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.04   0.04   0.10
                    124                    125                    126
                      A                      A                      A
 Frequencies --   3067.9194              3068.9914              3074.6885
 Red. masses --      1.0934                 1.0960                 1.1012
 Frc consts  --      6.0632                 6.0819                 6.1334
 IR Inten    --     36.3904                57.1642                31.2081
 RamAct Fr= 1--    269.8048               273.7256               165.5378
  Dep-P Fr= 1--      0.1906                 0.2819                 0.4450
  Dep-U Fr= 1--      0.3202                 0.4398                 0.6159
 Alpha2 Fr= 1--      3.7561                 2.9618                 1.0352
 Beta2  Fr= 1--     14.3972                20.0634                16.9932
 AlphaG Fr= 1--      0.7770                 0.0440                 0.6858
 Gamma2 Fr= 1--     33.1428                39.5187               -31.1876
 Delta2 Fr= 1--     17.0203                13.7115               -23.8252
 Raman1 Fr= 1--    1079.219               1094.902                662.151
 ROA1   Fr= 1--    3726.362               4232.566              -3756.413
 CID1   Fr= 1--       3.453                  3.866                 -5.673
 Raman2 Fr= 1--     172.767                240.761                203.918
 ROA2   Fr= 1--     659.265                838.758               -557.900
 CID2   Fr= 1--       3.816                  3.484                 -2.736
 Raman3 Fr= 1--     345.533                481.522                407.836
 ROA3   Fr= 1--    3726.362               4232.566              -3756.413
 CID3   Fr= 1--      10.784                  8.790                 -9.211
 RC180  Fr= 1--      -0.360                 -0.120                  0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01  -0.01  -0.02    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.03  -0.01  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.02   0.01  -0.08     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.01   0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6    -0.01   0.00   0.01     0.00  -0.00   0.00    -0.03   0.03   0.00
    19   6    -0.04  -0.04   0.02    -0.00  -0.00   0.00    -0.03  -0.04   0.02
    20   6    -0.02   0.01  -0.05    -0.00   0.00  -0.00     0.02  -0.02   0.06
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.01     0.08   0.04   0.18     0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00     0.00   0.07   0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.01  -0.01    -0.45  -0.23   0.67    -0.00  -0.00   0.01
    29   1    -0.00  -0.00  -0.01     0.16   0.13   0.26     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00   0.00   0.00
    31   1     0.01  -0.00  -0.00    -0.32   0.13   0.01     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.03  -0.00  -0.03    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00   0.00    -0.01  -0.04  -0.00    -0.00  -0.01  -0.00
    34   1    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   1    -0.04   0.01   0.04    -0.01   0.00   0.01     0.03  -0.01  -0.03
    36   1     0.03   0.01  -0.02     0.01   0.00  -0.01    -0.03  -0.01   0.02
    37   1     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    40   1    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.02  -0.04   0.02
    41   1    -0.10  -0.06  -0.15     0.01   0.00   0.01     0.02   0.01   0.03
    42   1     0.14  -0.10  -0.10    -0.00   0.00   0.00     0.25  -0.17  -0.19
    43   1    -0.04   0.06  -0.05    -0.00   0.01  -0.00     0.09  -0.15   0.14
    44   1     0.52   0.40  -0.22     0.01   0.01  -0.01     0.39   0.31  -0.17
    45   1    -0.05   0.06  -0.06    -0.00   0.00  -0.00    -0.09   0.14  -0.13
    46   1     0.07  -0.27   0.18     0.00  -0.01   0.01    -0.12   0.44  -0.30
    47   1     0.20   0.19   0.48     0.01   0.01   0.02    -0.16  -0.15  -0.37
                    127                    128                    129
                      A                      A                      A
 Frequencies --   3076.6353              3076.7421              3082.6544
 Red. masses --      1.0915                 1.0901                 1.1040
 Frc consts  --      6.0871                 6.0797                 6.1814
 IR Inten    --      3.4640                16.0859                28.4309
 RamAct Fr= 1--     92.1207                88.7480                51.3400
  Dep-P Fr= 1--      0.2004                 0.3776                 0.7101
  Dep-U Fr= 1--      0.3338                 0.5481                 0.8305
 Alpha2 Fr= 1--      1.2498                 0.7110                 0.0355
 Beta2  Fr= 1--      5.1255                 8.1079                 7.1060
 AlphaG Fr= 1--     -0.8814                 1.6569                -0.0452
 Gamma2 Fr= 1--    -14.9757                -1.1759               -25.0615
 Delta2 Fr= 1--      0.7998               -16.7434                -9.6311
 Raman1 Fr= 1--     368.483                354.992                205.360
 ROA1   Fr= 1--   -1412.070               -648.675              -2714.097
 CID1   Fr= 1--      -3.832                 -1.827                -13.216
 Raman2 Fr= 1--      61.505                 97.294                 85.272
 ROA2   Fr= 1--    -365.814                105.725               -524.426
 CID2   Fr= 1--      -5.948                  1.087                 -6.150
 Raman3 Fr= 1--     123.011                194.589                170.545
 ROA3   Fr= 1--   -1412.070               -648.675              -2714.097
 CID3   Fr= 1--     -11.479                 -3.334                -15.914
 RC180  Fr= 1--      -0.332                  0.096                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.01   0.02   0.00    -0.02  -0.07  -0.01     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.03  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.04  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    11   6    -0.06   0.00   0.04    -0.02   0.00   0.01     0.01  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.06   0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.02
    20   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.01   0.02
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02     0.00   0.00   0.00
    27   1     0.00   0.04   0.00    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.00  -0.01     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   1     0.00   0.00   0.01    -0.03  -0.02  -0.05    -0.00  -0.00  -0.00
    30   1     0.02   0.02   0.04    -0.08  -0.06  -0.13    -0.00  -0.00  -0.00
    31   1     0.08  -0.03  -0.00    -0.24   0.10   0.01    -0.00   0.00   0.00
    32   1    -0.02   0.00  -0.03     0.09  -0.00   0.11    -0.00  -0.00  -0.00
    33   1    -0.06  -0.25  -0.02     0.21   0.86   0.07    -0.00  -0.00  -0.00
    34   1    -0.06  -0.08  -0.02    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
    35   1    -0.40   0.09   0.33    -0.12   0.03   0.10     0.01  -0.00  -0.01
    36   1     0.55   0.11  -0.46     0.16   0.03  -0.13    -0.07  -0.01   0.05
    37   1     0.13  -0.17   0.03     0.04  -0.05   0.01    -0.02   0.02  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.05   0.11  -0.05
    41   1     0.10   0.06   0.16     0.03   0.02   0.05    -0.09  -0.05  -0.13
    42   1    -0.05   0.03   0.04    -0.01   0.01   0.01    -0.36   0.25   0.27
    43   1    -0.02   0.03  -0.03    -0.01   0.01  -0.01    -0.29   0.47  -0.44
    44   1     0.03   0.02  -0.01     0.02   0.01  -0.01     0.16   0.13  -0.07
    45   1    -0.01   0.02  -0.02    -0.01   0.01  -0.01    -0.10   0.15  -0.15
    46   1    -0.01   0.04  -0.03    -0.01   0.02  -0.01    -0.05   0.17  -0.12
    47   1    -0.02  -0.02  -0.04    -0.01  -0.01  -0.02    -0.06  -0.05  -0.14
                    130                    131                    132
                      A                      A                      A
 Frequencies --   3087.1262              3097.2284              3227.9493
 Red. masses --      1.1033                 1.0941                 1.0913
 Frc consts  --      6.1951                 6.1836                 6.6997
 IR Inten    --     28.4022                26.9588                 0.6192
 RamAct Fr= 1--     58.2612                37.7778                44.1691
  Dep-P Fr= 1--      0.6658                 0.6612                 0.5213
  Dep-U Fr= 1--      0.7994                 0.7961                 0.6853
 Alpha2 Fr= 1--      0.0872                 0.0598                 0.1968
 Beta2  Fr= 1--      7.7624                 5.0122                 5.0450
 AlphaG Fr= 1--     -0.0866                 0.0140                 0.0196
 Gamma2 Fr= 1--     27.3307                42.5238                 8.3312
 Delta2 Fr= 1--     10.8399                15.5864                 2.5597
 Raman1 Fr= 1--     233.045                151.111                176.676
 ROA1   Fr= 1--    2970.622               4581.053                881.706
 CID1   Fr= 1--      12.747                 30.316                  4.991
 Raman2 Fr= 1--      93.149                 60.147                 60.540
 ROA2   Fr= 1--     569.217                895.881                179.471
 CID2   Fr= 1--       6.111                 14.895                  2.965
 Raman3 Fr= 1--     186.298                120.293                121.080
 ROA3   Fr= 1--    2970.622               4581.053                881.706
 CID3   Fr= 1--      15.946                 38.082                  7.282
 RC180  Fr= 1--       0.599                  0.592                  0.371
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.07  -0.01  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.06  -0.00   0.04    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.05   0.00   0.03    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.02
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01   0.05
    17   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    18   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.01   0.00   0.00     0.03  -0.01  -0.03
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
    26   1     0.03   0.01   0.06    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    27   1     0.00   0.04   0.00     0.00   0.02   0.00     0.00  -0.00   0.00
    28   1    -0.06  -0.03   0.09     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.09   0.08   0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1     0.36   0.27   0.59    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.48  -0.20  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.11   0.01   0.14    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1     0.07   0.28   0.02     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1     0.00   0.00   0.00     0.13   0.16   0.03     0.00   0.00   0.00
    35   1     0.00  -0.00  -0.00     0.57  -0.13  -0.48     0.00  -0.00  -0.00
    36   1     0.00   0.00  -0.00     0.42   0.09  -0.35     0.01   0.00  -0.00
    37   1     0.00  -0.00   0.00     0.13  -0.16   0.03    -0.00   0.00  -0.00
    38   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.74   0.12  -0.56
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.26   0.21
    40   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    41   1    -0.00  -0.00  -0.00    -0.07  -0.04  -0.11     0.00   0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    43   1    -0.00   0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.00   0.00
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --   3228.9573              3248.9682              3249.5368
 Red. masses --      1.0914                 1.0976                 1.0975
 Frc consts  --      6.7043                 6.8262                 6.8284
 IR Inten    --      0.2446                 0.0918                 0.1275
 RamAct Fr= 1--     47.5437                93.5653                93.8924
  Dep-P Fr= 1--      0.5400                 0.1931                 0.1882
  Dep-U Fr= 1--      0.7013                 0.3237                 0.3168
 Alpha2 Fr= 1--      0.1920                 1.2941                 1.3153
 Beta2  Fr= 1--      5.5574                 5.0473                 4.9576
 AlphaG Fr= 1--      0.0069                -0.2443                -0.0734
 Gamma2 Fr= 1--     -0.3640                 0.5943                 3.7029
 Delta2 Fr= 1--     -2.9433                 0.1542                 1.3055
 Raman1 Fr= 1--     190.175                374.261                375.570
 ROA1   Fr= 1--    -129.130                 61.984                397.251
 CID1   Fr= 1--      -0.679                  0.166                  1.058
 Raman2 Fr= 1--      66.688                 60.567                 59.491
 ROA2   Fr= 1--      14.810                 13.029                 78.425
 CID2   Fr= 1--       0.222                  0.215                  1.318
 Raman3 Fr= 1--     133.377                121.135                118.983
 ROA3   Fr= 1--    -129.130                 61.984                397.251
 CID3   Fr= 1--      -0.968                  0.512                  3.339
 RC180  Fr= 1--       0.403                 -0.353                 -0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.02  -0.02    -0.00  -0.07   0.05    -0.00  -0.00   0.00
     8   6    -0.06   0.01   0.05    -0.03   0.01   0.02    -0.00   0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.07  -0.05
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.01  -0.02
    17   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.71  -0.14  -0.58     0.27  -0.05  -0.22     0.00  -0.00  -0.00
    25   1    -0.02  -0.27   0.22     0.05   0.72  -0.58     0.00   0.01  -0.01
    26   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    38   1    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.26  -0.05   0.19
    39   1     0.00  -0.01  -0.01     0.00  -0.01  -0.01    -0.06   0.74   0.58
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    41   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    43   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    44   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    45   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number 40 and mass  89.90430
 Atom    22 has atomic number 17 and mass  34.96885
 Atom    23 has atomic number 17 and mass  34.96885
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Molecular mass:   424.02981 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4791.519389383.12328**********
           X            0.99999  -0.00020  -0.00471
           Y            0.00021   0.99999   0.00321
           Z            0.00471  -0.00321   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01808     0.00923     0.00831
 Rotational constants (GHZ):           0.37665     0.19234     0.17314
 Zero-point vibrational energy    1036628.3 (Joules/Mol)
                                  247.76010 (Kcal/Mol)
 Warning -- explicit consideration of  35 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.44   109.83   128.20   140.05   172.23
          (Kelvin)            174.51   179.38   198.73   204.89   235.76
                              262.14   271.31   283.96   340.04   376.41
                              402.55   409.94   447.31   458.40   469.30
                              488.98   494.85   521.33   527.58   594.87
                              610.71   618.09   646.06   656.31   680.62
                              718.88   747.76   829.44   866.36   893.02
                              915.76   945.19   963.53   992.76  1001.92
                             1039.62  1068.10  1173.22  1177.62  1198.24
                             1202.02  1243.57  1244.52  1259.85  1263.42
                             1309.31  1324.41  1328.92  1335.98  1338.15
                             1371.54  1395.07  1396.07  1441.94  1479.76
                             1522.35  1523.90  1533.10  1553.46  1562.35
                             1588.33  1590.16  1641.92  1677.61  1679.51
                             1686.42  1689.41  1706.31  1728.79  1749.48
                             1762.29  1787.54  1838.12  1839.09  1856.83
                             1865.90  1885.75  1892.67  1941.57  1952.10
                             1959.29  1970.38  1972.37  1978.24  1978.84
                             1981.79  1995.84  2002.88  2028.32  2031.50
                             2111.97  2115.13  2123.22  2127.51  2133.07
                             2136.01  2144.46  2152.02  2153.36  2156.16
                             2161.42  2164.68  2165.91  2167.32  2196.01
                             2196.85  4309.72  4332.50  4333.82  4338.48
                             4347.11  4355.13  4367.18  4373.06  4375.03
                             4381.42  4391.93  4406.98  4414.05  4415.59
                             4423.79  4426.59  4426.75  4435.25  4441.69
                             4456.22  4644.30  4645.75  4674.54  4675.36
 
 Zero-point correction=                           0.394831 (Hartree/Particle)
 Thermal correction to Energy=                    0.416033
 Thermal correction to Enthalpy=                  0.416977
 Thermal correction to Gibbs Free Energy=         0.346177
 Sum of electronic and zero-point Energies=          -1744.372617
 Sum of electronic and thermal Energies=             -1744.351415
 Sum of electronic and thermal Enthalpies=           -1744.350471
 Sum of electronic and thermal Free Energies=        -1744.421272
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  261.065             85.483            149.012
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             44.024
 Rotational               0.889              2.981             34.504
 Vibrational            259.287             79.521             70.484
 Vibration     1          0.593              1.985              6.336
 Vibration     2          0.599              1.965              3.983
 Vibration     3          0.602              1.957              3.680
 Vibration     4          0.603              1.951              3.507
 Vibration     5          0.609              1.933              3.105
 Vibration     6          0.609              1.931              3.080
 Vibration     7          0.610              1.928              3.027
 Vibration     8          0.614              1.915              2.830
 Vibration     9          0.616              1.911              2.771
 Vibration    10          0.623              1.887              2.505
 Vibration    11          0.630              1.864              2.306
 Vibration    12          0.633              1.856              2.242
 Vibration    13          0.637              1.844              2.158
 Vibration    14          0.655              1.785              1.830
 Vibration    15          0.669              1.743              1.651
 Vibration    16          0.680              1.711              1.535
 Vibration    17          0.683              1.702              1.504
 Vibration    18          0.700              1.653              1.358
 Vibration    19          0.705              1.638              1.317
 Vibration    20          0.710              1.623              1.279
 Vibration    21          0.720              1.596              1.213
 Vibration    22          0.723              1.588              1.194
 Vibration    23          0.736              1.550              1.112
 Vibration    24          0.740              1.541              1.094
 Vibration    25          0.777              1.441              0.914
 Vibration    26          0.786              1.417              0.877
 Vibration    27          0.791              1.406              0.860
 Vibration    28          0.808              1.363              0.799
 Vibration    29          0.814              1.347              0.777
 Vibration    30          0.830              1.310              0.729
 Vibration    31          0.855              1.251              0.659
 Vibration    32          0.875              1.206              0.611
 Vibration    33          0.933              1.082              0.492
 Vibration    34          0.960              1.027              0.446
 Vibration    35          0.981              0.988              0.415
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.588683-159       -159.230119       -366.640898
 Total V=0       0.239500D+23         22.379305         51.530254
 Vib (Bot)       0.221346-174       -174.654929       -402.157835
 Vib (Bot)    1  0.891058D+01          0.949906          2.187239
 Vib (Bot)    2  0.269930D+01          0.431251          0.992992
 Vib (Bot)    3  0.230782D+01          0.363203          0.836305
 Vib (Bot)    4  0.210947D+01          0.324174          0.746439
 Vib (Bot)    5  0.170733D+01          0.232317          0.534929
 Vib (Bot)    6  0.168434D+01          0.226431          0.521376
 Vib (Bot)    7  0.163728D+01          0.214124          0.493039
 Vib (Bot)    8  0.147289D+01          0.168169          0.387223
 Vib (Bot)    9  0.142695D+01          0.154408          0.355537
 Vib (Bot)   10  0.123227D+01          0.090706          0.208859
 Vib (Bot)   11  0.110153D+01          0.041996          0.096701
 Vib (Bot)   12  0.106191D+01          0.026087          0.060069
 Vib (Bot)   13  0.101131D+01          0.004884          0.011245
 Vib (Bot)   14  0.831028D+00         -0.080384         -0.185092
 Vib (Bot)   15  0.741834D+00         -0.129693         -0.298630
 Vib (Bot)   16  0.687253D+00         -0.162883         -0.375053
 Vib (Bot)   17  0.673025D+00         -0.171969         -0.395972
 Vib (Bot)   18  0.607894D+00         -0.216172         -0.497754
 Vib (Bot)   19  0.590514D+00         -0.228770         -0.526762
 Vib (Bot)   20  0.574164D+00         -0.240964         -0.554840
 Vib (Bot)   21  0.546407D+00         -0.262483         -0.604391
 Vib (Bot)   22  0.538535D+00         -0.268786         -0.618903
 Vib (Bot)   23  0.505056D+00         -0.296661         -0.683087
 Vib (Bot)   24  0.497617D+00         -0.303105         -0.697926
 Vib (Bot)   25  0.426805D+00         -0.369770         -0.851427
 Vib (Bot)   26  0.412260D+00         -0.384829         -0.886101
 Vib (Bot)   27  0.405721D+00         -0.391773         -0.902090
 Vib (Bot)   28  0.382200D+00         -0.417709         -0.961812
 Vib (Bot)   29  0.374049D+00         -0.427071         -0.983367
 Vib (Bot)   30  0.355645D+00         -0.448983         -1.033822
 Vib (Bot)   31  0.329041D+00         -0.482750         -1.111572
 Vib (Bot)   32  0.310657D+00         -0.507719         -1.169066
 Vib (Bot)   33  0.265255D+00         -0.576337         -1.327065
 Vib (Bot)   34  0.247429D+00         -0.606549         -1.396631
 Vib (Bot)   35  0.235446D+00         -0.628109         -1.446274
 Vib (V=0)       0.900524D+07          6.954495         16.013317
 Vib (V=0)    1  0.942460D+01          0.974263          2.243323
 Vib (V=0)    2  0.324522D+01          0.511244          1.177182
 Vib (V=0)    3  0.286137D+01          0.456574          1.051300
 Vib (V=0)    4  0.266792D+01          0.426173          0.981299
 Vib (V=0)    5  0.227903D+01          0.357751          0.823752
 Vib (V=0)    6  0.225699D+01          0.353530          0.814032
 Vib (V=0)    7  0.221193D+01          0.344771          0.793865
 Vib (V=0)    8  0.205544D+01          0.312905          0.720490
 Vib (V=0)    9  0.201201D+01          0.303630          0.699134
 Vib (V=0)   10  0.182985D+01          0.262415          0.604232
 Vib (V=0)   11  0.170970D+01          0.232919          0.536317
 Vib (V=0)   12  0.167373D+01          0.223686          0.515057
 Vib (V=0)   13  0.162816D+01          0.211697          0.487450
 Vib (V=0)   14  0.146985D+01          0.167273          0.385160
 Vib (V=0)   15  0.139460D+01          0.144451          0.332611
 Vib (V=0)   16  0.134989D+01          0.130299          0.300025
 Vib (V=0)   17  0.133843D+01          0.126595          0.291496
 Vib (V=0)   18  0.128711D+01          0.109614          0.252396
 Vib (V=0)   19  0.127376D+01          0.105088          0.241974
 Vib (V=0)   20  0.126136D+01          0.100838          0.232188
 Vib (V=0)   21  0.124065D+01          0.093649          0.215635
 Vib (V=0)   22  0.123486D+01          0.091618          0.210958
 Vib (V=0)   23  0.121069D+01          0.083033          0.191191
 Vib (V=0)   24  0.120542D+01          0.081140          0.186831
 Vib (V=0)   25  0.115739D+01          0.063480          0.146168
 Vib (V=0)   26  0.114804D+01          0.059958          0.138058
 Vib (V=0)   27  0.114390D+01          0.058389          0.134445
 Vib (V=0)   28  0.112935D+01          0.052827          0.121639
 Vib (V=0)   29  0.112443D+01          0.050932          0.117276
 Vib (V=0)   30  0.111358D+01          0.046722          0.107582
 Vib (V=0)   31  0.109855D+01          0.040822          0.093996
 Vib (V=0)   32  0.108865D+01          0.036888          0.084937
 Vib (V=0)   33  0.106600D+01          0.027759          0.063917
 Vib (V=0)   34  0.105787D+01          0.024433          0.056259
 Vib (V=0)   35  0.105266D+01          0.022289          0.051322
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.343201D+09          8.535548         19.653827
 Rotational      0.774928D+07          6.889261         15.863111
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000054649    0.000000164    0.000035922
      2        6           0.000032068    0.000015398    0.000020106
      3        6           0.000021223   -0.000004821   -0.000002532
      4        6           0.000043029   -0.000001376   -0.000037326
      5        6          -0.000014612    0.000001279    0.000013789
      6        6           0.000016017    0.000006126   -0.000004607
      7        6           0.000011618    0.000010236    0.000006225
      8        6          -0.000011845    0.000013321   -0.000007057
      9        6           0.000002240   -0.000003493   -0.000009018
     10        6          -0.000011397    0.000017289    0.000010830
     11        6           0.000011984    0.000004770    0.000002577
     12        6          -0.000015859   -0.000003678   -0.000002867
     13        6          -0.000012357   -0.000028466    0.000015488
     14        6          -0.000034588   -0.000009016    0.000016235
     15        6          -0.000023348    0.000005617   -0.000002954
     16        6           0.000019741    0.000008289    0.000027701
     17        6           0.000052473    0.000023101   -0.000054079
     18        6          -0.000019397    0.000012529    0.000025721
     19        6           0.000016105   -0.000005558   -0.000005499
     20        6           0.000003731    0.000011181    0.000006058
     21       40          -0.000019904   -0.000039058   -0.000072933
     22       17          -0.000010590    0.000021694    0.000048482
     23       17          -0.000008588    0.000048716   -0.000020528
     24        1           0.000008234   -0.000008579    0.000006679
     25        1          -0.000002216   -0.000005294   -0.000002046
     26        1           0.000035208    0.000004619    0.000005951
     27        1          -0.000017455    0.000001752    0.000007988
     28        1           0.000001462   -0.000000113    0.000001270
     29        1           0.000003319   -0.000001040    0.000001770
     30        1           0.000022009   -0.000018924   -0.000010517
     31        1          -0.000000814   -0.000001302    0.000002598
     32        1          -0.000002833   -0.000003511    0.000001679
     33        1          -0.000009857    0.000004041   -0.000021503
     34        1           0.000001132    0.000003096    0.000000702
     35        1           0.000000440    0.000004274    0.000013366
     36        1           0.000013080   -0.000002886    0.000004092
     37        1          -0.000002084   -0.000003030   -0.000000152
     38        1          -0.000031387   -0.000021628   -0.000000003
     39        1          -0.000001485    0.000003017    0.000004315
     40        1          -0.000003285   -0.000003456    0.000003870
     41        1           0.000018767   -0.000003339   -0.000060336
     42        1          -0.000001490    0.000000338   -0.000002089
     43        1          -0.000037134   -0.000037553    0.000020659
     44        1          -0.000001970    0.000000011   -0.000005068
     45        1          -0.000006383    0.000002609   -0.000001168
     46        1           0.000019570   -0.000018039    0.000022222
     47        1           0.000002079    0.000000693   -0.000004010
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072933 RMS     0.000019124
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.345503D+03 -0.485510D+00 -0.386161D+01
      2  -0.485510D+00  0.275048D+03  0.424123D+00
      3  -0.386161D+01  0.424123D+00  0.255353D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.397026D+01 -0.122603D+01 -0.556438D+02
      2  -0.372699D+00 -0.162776D+02 -0.199103D+01
      3   0.884615D+02 -0.456375D+01  0.186680D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.535013D+01 -0.102025D+03 -0.866001D+01
      2   0.869119D+01  0.198610D+03 -0.170183D-01
      3  -0.334106D+01 -0.965847D+02  0.867703D+01
      4   0.246345D+02  0.158826D+02 -0.314153D+02
      5  -0.150267D+02 -0.271482D+02 -0.888330D+01
      6  -0.520444D+01 -0.119712D+02  0.520123D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.525535D+01  0.653605D+00  0.106436D+01  0.591777D+00 -0.195190D+01
      2   0.653605D+00 -0.728294D+00  0.629392D-01 -0.195190D+01 -0.665996D+01
      3   0.106436D+01  0.629392D-01  0.134928D+01  0.671401D+00  0.872622D+00
                 6             7             8             9            10 
      1   0.671401D+00  0.476400D+01  0.145830D+01 -0.611990D+00  0.127447D+02
      2   0.872622D+00  0.145830D+01  0.117129D+01 -0.765084D+00  0.387484D+01
      3   0.640990D+00 -0.611990D+00 -0.765084D+00  0.428806D+01 -0.856041D+00
                11            12            13            14            15 
      1   0.387484D+01 -0.856041D+00  0.113385D+02  0.407186D+01 -0.370912D+01
      2   0.563634D+01 -0.198065D+01  0.407186D+01  0.692635D+00 -0.326504D-01
      3  -0.198065D+01  0.158603D+01 -0.370912D+01 -0.326504D-01  0.259951D+01
                16            17            18            19            20 
      1  -0.728071D+01  0.431100D-01  0.342344D+01  0.148150D+02 -0.325422D+01
      2   0.431100D-01 -0.346439D+01  0.154877D+01 -0.325422D+01  0.295305D+01
      3   0.342344D+01  0.154877D+01 -0.208951D+01  0.549530D+01 -0.149725D+01
                21            22            23            24            25 
      1   0.549530D+01 -0.115677D+02  0.377671D+00  0.383702D+01  0.393249D+01
      2  -0.149725D+01  0.377671D+00 -0.100917D+01 -0.328965D-01  0.291410D+01
      3   0.327084D+01  0.383702D+01 -0.328965D-01 -0.106618D+01 -0.259168D+01
                26            27            28            29            30 
      1   0.291410D+01 -0.259168D+01 -0.804676D+01  0.108863D+01 -0.392560D+01
      2  -0.259091D+01 -0.173832D+00  0.108863D+01  0.498676D+00  0.122083D+01
      3  -0.173832D+00  0.373630D+00 -0.392560D+01  0.122083D+01 -0.341128D+01
                31            32            33            34            35 
      1   0.273682D+01 -0.180446D+01  0.645601D+00 -0.590108D+01  0.137848D+01
      2  -0.180446D+01  0.557224D+01 -0.616078D+00  0.137848D+01  0.857218D+00
      3   0.645601D+00 -0.616078D+00 -0.425929D+00 -0.558906D+01 -0.365593D+00
                36            37            38            39            40 
      1  -0.558906D+01 -0.730020D+01  0.506413D+01  0.115809D+01  0.582704D+01
      2  -0.365593D+00  0.506413D+01 -0.952598D+00 -0.231665D+00 -0.112556D+01
      3  -0.197930D+01  0.115809D+01 -0.231665D+00  0.288376D+01 -0.608353D-01
                41            42            43            44            45 
      1  -0.112556D+01 -0.608353D-01  0.677810D-01 -0.222206D-01  0.355886D+01
      2  -0.193309D+01  0.906928D+00 -0.222206D-01  0.773275D+00  0.204380D+01
      3   0.906928D+00  0.190280D+01  0.355886D+01  0.204380D+01  0.628199D+00
                46            47            48            49            50 
      1   0.204530D+01 -0.366702D+01  0.543196D+00 -0.655008D+01 -0.137215D+01
      2  -0.366702D+01 -0.566673D+00  0.368128D+00 -0.137215D+01  0.224320D+01
      3   0.543196D+00  0.368128D+00 -0.372649D+01  0.506107D+00 -0.466522D+00
                51            52            53            54            55 
      1   0.506107D+00  0.243264D+01  0.498265D+00 -0.691268D+01  0.402958D+01
      2  -0.466522D+00  0.498265D+00 -0.449392D+00 -0.337303D+01  0.186641D+01
      3  -0.268684D+01 -0.691268D+01 -0.337303D+01  0.988483D+00  0.278372D+00
                56            57            58            59            60 
      1   0.186641D+01  0.278372D+00 -0.182308D+01 -0.389819D+00  0.189373D+01
      2  -0.272350D+01  0.402682D+00 -0.389819D+00  0.137472D+01 -0.451867D+00
      3   0.402682D+00  0.482006D+01  0.189373D+01 -0.451867D+00 -0.144519D+01
                61            62            63            64            65 
      1   0.517822D+01 -0.202730D+01  0.695201D+01 -0.176675D+01 -0.125202D+01
      2  -0.202730D+01  0.111662D+01  0.917804D+00 -0.125202D+01 -0.215047D-01
      3   0.695201D+01  0.917804D+00  0.697635D+01  0.149858D+01  0.193005D+01
                66            67            68            69            70 
      1   0.149858D+01  0.214992D+01  0.110122D+01 -0.855386D-03 -0.977648D+00
      2   0.193005D+01  0.110122D+01 -0.156551D+01  0.153500D+01 -0.923584D+00
      3   0.426632D+00 -0.855386D-03  0.153500D+01  0.437287D+01  0.204569D+01
                71            72            73            74            75 
      1  -0.923584D+00  0.204569D+01 -0.776477D+01  0.127555D+01  0.803611D-01
      2   0.480092D+01  0.300083D+01  0.127555D+01 -0.187276D+01  0.354793D+01
      3   0.300083D+01  0.874584D+01  0.803611D-01  0.354793D+01  0.215603D+00
                76            77            78            79            80 
      1   0.140222D+01  0.140175D+00 -0.263856D+00  0.375091D+00  0.253104D+01
      2   0.140175D+00  0.134720D+02  0.137283D+01  0.253104D+01  0.105310D+01
      3  -0.263856D+00  0.137283D+01  0.204136D+01 -0.998154D+00  0.831264D+00
                81            82            83            84            85 
      1  -0.998154D+00  0.559937D+00 -0.300089D+01 -0.203974D+01 -0.103509D+01
      2   0.831264D+00 -0.300089D+01 -0.486907D+01 -0.915287D+00 -0.314964D+01
      3  -0.323960D+01 -0.203974D+01 -0.915287D+00  0.167944D+01  0.399067D+00
                86            87            88            89            90 
      1  -0.314964D+01  0.399067D+00 -0.131297D+01 -0.203542D+00  0.240516D+01
      2  -0.946806D+01 -0.147997D+01 -0.203542D+00  0.180158D+01 -0.131297D+01
      3  -0.147997D+01  0.837161D-01  0.240516D+01 -0.131297D+01  0.362260D+00
                91            92            93            94            95 
      1  -0.829865D+00 -0.285885D+01  0.200856D+01 -0.718545D+00  0.292843D+01
      2  -0.285885D+01  0.475696D+01 -0.109271D+01  0.292843D+01 -0.935536D+01
      3   0.200856D+01 -0.109271D+01 -0.164888D+01  0.222959D+00  0.171758D+01
                96            97            98            99           100 
      1   0.222959D+00  0.967695D+00 -0.435281D+00 -0.239439D+01  0.937537D+01
      2   0.171758D+01 -0.435281D+00 -0.166998D+01 -0.133080D+01  0.697436D+00
      3   0.685868D-01 -0.239439D+01 -0.133080D+01 -0.391453D+00 -0.980110D-01
               101           102           103           104           105 
      1   0.697436D+00 -0.980110D-01  0.562352D+00  0.620147D+00 -0.357667D+00
      2   0.224416D+01  0.302148D+01  0.620147D+00  0.130017D+02 -0.136916D+01
      3   0.302148D+01 -0.391324D+00 -0.357667D+00 -0.136916D+01  0.179815D+01
               106           107           108           109           110 
      1   0.311310D+00  0.262834D+01  0.122071D+01 -0.123799D+02  0.461295D+01
      2   0.262834D+01 -0.110839D+01  0.121933D+01  0.461295D+01 -0.667445D+01
      3   0.122071D+01  0.121933D+01  0.332446D+01  0.119184D+00 -0.166563D+01
               111           112           113           114           115 
      1   0.119184D+00  0.108072D+02 -0.498917D+01 -0.258720D+01  0.853128D+01
      2  -0.166563D+01 -0.498917D+01  0.109334D+01  0.329943D+00 -0.371751D+00
      3  -0.618487D+00 -0.258720D+01  0.329943D+00  0.218544D+01 -0.329568D+01
               116           117           118           119           120 
      1  -0.371751D+00 -0.329568D+01 -0.162284D+02 -0.322553D+01 -0.563586D+01
      2   0.359391D+01  0.133777D+01 -0.322553D+01 -0.308129D+01 -0.128770D+01
      3   0.133777D+01  0.156316D+01 -0.563586D+01 -0.128770D+01 -0.380330D+01
               121           122           123           124           125 
      1  -0.973180D+01 -0.152050D+00  0.382139D+01 -0.433524D+01  0.292827D+01
      2  -0.152050D+00 -0.788314D+00 -0.133637D+00  0.292827D+01  0.224425D+01
      3   0.382139D+01 -0.133637D+00 -0.107998D+01  0.200476D+01 -0.298253D+00
               126           127           128           129           130 
      1   0.200476D+01 -0.285126D+01  0.265321D+01  0.817470D+00 -0.870879D+00
      2  -0.298253D+00  0.265321D+01  0.285636D+01  0.622430D+00  0.687485D+00
      3  -0.111851D+01  0.817470D+00  0.622430D+00 -0.443877D+01  0.186083D+01
               131           132           133           134           135 
      1   0.687485D+00  0.186083D+01 -0.588525D+01 -0.200364D+01 -0.670311D+01
      2   0.111107D+01  0.577970D+00 -0.200364D+01 -0.789797D+00  0.956243D+00
      3   0.577970D+00 -0.115383D+01 -0.670311D+01  0.956243D+00 -0.739419D+01
               136           137           138           139           140 
      1   0.844013D+00 -0.109443D+01 -0.133603D+01  0.219229D+01 -0.165286D+01
      2  -0.109443D+01  0.287685D+00  0.173028D+01 -0.165286D+01 -0.154290D+01
      3  -0.133603D+01  0.173028D+01 -0.258917D+00 -0.391564D+00 -0.197575D+01
               141           142           143           144           145 
      1  -0.391564D+00  0.552778D+00 -0.135151D+01 -0.180954D+01  0.543646D+01
      2  -0.197575D+01 -0.135151D+01 -0.470611D+01  0.278608D+01 -0.310205D+01
      3   0.413041D+01 -0.180954D+01  0.278608D+01 -0.889655D+01 -0.905230D+00
               146           147           148           149           150 
      1  -0.310205D+01 -0.905230D+00 -0.735053D+01  0.750704D+01 -0.387768D+00
      2   0.389930D+01 -0.139794D+01  0.750704D+01 -0.618493D+01 -0.634590D+00
      3  -0.139794D+01 -0.105450D+01 -0.387768D+00 -0.634590D+00 -0.155993D+01
               151           152           153           154           155 
      1  -0.243143D+01 -0.246239D+01 -0.202771D+00  0.101581D+01 -0.262823D+01
      2  -0.246239D+01 -0.182474D+00 -0.232632D+01 -0.262823D+01 -0.496849D+00
      3  -0.202771D+00 -0.232632D+01 -0.170042D+01 -0.276483D+01  0.355556D+01
               156           157           158           159           160 
      1  -0.276483D+01 -0.398758D+01 -0.334491D+00  0.449911D+01 -0.288741D+01
      2   0.355556D+01 -0.334491D+00  0.656225D+00 -0.168230D+01  0.423639D+01
      3   0.186374D+01  0.449911D+01 -0.168230D+01  0.517571D+00  0.206152D+01
               161           162           163           164           165 
      1   0.423639D+01  0.206152D+01  0.535026D+01  0.312379D+01  0.736869D+00
      2  -0.162851D+01  0.920548D+00  0.312379D+01  0.149460D+01 -0.302679D+01
      3   0.920548D+00 -0.166676D+01  0.736869D+00 -0.302679D+01 -0.557948D+00
               166           167           168           169           170 
      1   0.541421D+01  0.301259D+01 -0.449954D+01  0.720764D+00 -0.457528D+01
      2   0.301259D+01 -0.383330D+00  0.955385D+00 -0.457528D+01  0.730965D+00
      3  -0.449954D+01  0.955385D+00 -0.179147D+01  0.627345D+00 -0.200884D+01
               171           172           173           174           175 
      1   0.627345D+00  0.427210D+01  0.624096D+00  0.673345D+00  0.401647D+01
      2  -0.200884D+01  0.624096D+00  0.658870D+00  0.250533D+01  0.287679D+01
      3   0.658725D+00  0.673345D+00  0.250533D+01  0.206727D+01  0.313498D+01
               176           177           178           179           180 
      1   0.287679D+01  0.313498D+01 -0.832520D+00  0.218366D+01  0.318734D+01
      2   0.354205D+01 -0.225319D+00  0.218366D+01 -0.926065D+00  0.313640D+01
      3  -0.225319D+00  0.237995D+01  0.318734D+01  0.313640D+01  0.282771D+01
               181           182           183           184           185 
      1  -0.113232D-01 -0.604667D+01  0.110771D+00  0.119692D+01 -0.231794D+00
      2  -0.604667D+01 -0.343908D+00 -0.328905D+01 -0.231794D+00 -0.886068D+01
      3   0.110771D+00 -0.328905D+01 -0.773720D-01 -0.336233D+01  0.316907D+00
               186           187           188           189           190 
      1  -0.336233D+01  0.172903D+00 -0.485756D+01  0.245589D+00  0.905157D+01
      2   0.316907D+00 -0.485756D+01  0.256925D+00 -0.429923D+01 -0.170896D+01
      3  -0.136000D+01  0.245589D+00 -0.429923D+01  0.235289D+00 -0.506988D+00
               191           192           193           194           195 
      1  -0.170896D+01 -0.506988D+00 -0.488252D+01  0.170745D+01  0.456855D-01
      2   0.636388D+00  0.895402D+00  0.170745D+01 -0.110173D+02 -0.286850D+01
      3   0.895402D+00  0.150623D+01  0.456855D-01 -0.286850D+01 -0.300566D+01
               196           197           198           199           200 
      1  -0.354160D+01  0.114443D+01  0.805836D+00 -0.977352D+01 -0.102395D+01
      2   0.114443D+01 -0.192494D+01 -0.343998D+01 -0.102395D+01 -0.881395D+00
      3   0.805836D+00 -0.343998D+01 -0.694812D+01  0.582376D+00  0.748357D+00
               201           202           203           204           205 
      1   0.582376D+00 -0.373012D+01 -0.204635D+01  0.338346D+00  0.379198D+01
      2   0.748357D+00 -0.204635D+01 -0.997448D+01  0.307783D+01  0.100768D+01
      3  -0.176229D+01  0.338346D+00  0.307783D+01 -0.284228D+01 -0.118270D+01
               206           207           208           209           210 
      1   0.100768D+01 -0.118270D+01 -0.204789D+01  0.105195D+01  0.254872D+01
      2   0.223646D+01 -0.322833D+01  0.105195D+01 -0.693900D+00 -0.140454D+01
      3  -0.322833D+01  0.794518D+01  0.254872D+01 -0.140454D+01 -0.416013D+01
               211           212           213           214           215 
      1   0.901203D+00 -0.494154D+00 -0.649134D+00  0.227465D+01 -0.353274D+00
      2  -0.494154D+00  0.678212D+00  0.453467D+00 -0.353274D+00  0.685224D+00
      3  -0.649134D+00  0.453467D+00 -0.962626D-01 -0.243245D+01  0.197002D+00
               216           217           218           219           220 
      1  -0.243245D+01  0.411377D+00 -0.361542D+00 -0.543168D-01 -0.980804D+00
      2   0.197002D+00 -0.361542D+00  0.311468D+00  0.130648D-02  0.952054D+00
      3   0.387225D+01 -0.543168D-01  0.130648D-02 -0.939976D+00 -0.125900D+01
               221           222           223           224           225 
      1   0.952054D+00 -0.125900D+01  0.552468D+00 -0.251465D+00 -0.398015D-01
      2  -0.338435D+01  0.354540D+01 -0.251465D+00  0.224547D+01 -0.270868D+01
      3   0.354540D+01 -0.450053D+01 -0.398015D-01 -0.270868D+01  0.422617D+01
               226           227           228           229           230 
      1  -0.856783D+00 -0.526861D+00 -0.764310D+00 -0.175059D+01 -0.819897D-01
      2  -0.526861D+00 -0.456747D+00  0.218167D+00 -0.819897D-01  0.855649D+00
      3  -0.764310D+00  0.218167D+00 -0.972892D+00  0.321543D-01 -0.694163D+00
               231           232           233           234           235 
      1   0.321543D-01 -0.419475D+01 -0.785208D+00  0.132905D+01  0.900804D-01
      2  -0.694163D+00 -0.785208D+00 -0.122817D+01  0.135506D+01  0.867927D+00
      3  -0.584803D+00  0.132905D+01  0.135506D+01 -0.589207D+01  0.191752D+00
               236           237           238           239           240 
      1   0.867927D+00  0.191752D+00  0.320031D+01  0.213659D+01 -0.778570D+00
      2   0.796329D+00 -0.714555D-01  0.213659D+01  0.900981D+01 -0.131067D+01
      3  -0.714555D-01 -0.353340D+00 -0.778570D+00 -0.131067D+01  0.743217D+00
               241           242           243           244           245 
      1   0.905678D-01 -0.628437D-01  0.179316D+00  0.605726D+01  0.216937D+01
      2  -0.628437D-01  0.680693D-01  0.960272D+00  0.216937D+01  0.125634D+01
      3   0.179316D+00  0.960272D+00 -0.460267D+00 -0.345315D+01 -0.110352D+01
               246           247           248           249           250 
      1  -0.345315D+01  0.266985D+01  0.193999D+01 -0.127027D+01 -0.633460D+01
      2  -0.110352D+01  0.193999D+01  0.121071D+01 -0.139891D+01 -0.197070D+01
      3   0.249902D+01 -0.127027D+01 -0.139891D+01  0.140040D+01  0.522525D+01
               251           252           253           254           255 
      1  -0.197070D+01  0.522525D+01  0.426778D+01  0.202788D+01  0.182172D+01
      2  -0.170491D+01  0.232001D+01  0.202788D+01  0.125245D+01  0.652817D+00
      3   0.232001D+01 -0.492672D+01  0.182172D+01  0.652817D+00  0.150040D+01
               256           257           258           259           260 
      1   0.302705D+01  0.190960D+01  0.801486D+00  0.443948D+01  0.165100D+01
      2   0.190960D+01  0.155840D+01  0.108026D+01  0.165100D+01  0.190602D+01
      3   0.801486D+00  0.108026D+01  0.112646D+01  0.304528D+01  0.176197D+01
               261           262           263           264           265 
      1   0.304528D+01 -0.225962D+01 -0.144891D+01 -0.102208D+01 -0.197846D+01
      2   0.176197D+01 -0.144891D+01 -0.419897D+00 -0.181750D+00 -0.621844D-01
      3   0.292140D+01 -0.102208D+01 -0.181750D+00 -0.115988D+01  0.116883D-01
               266           267           268           269           270 
      1  -0.621844D-01  0.116883D-01 -0.173109D+01 -0.149572D+00 -0.202249D+00
      2  -0.852312D+00 -0.921666D+00 -0.149572D+00 -0.170618D+01 -0.157230D+01
      3  -0.921666D+00 -0.115430D+01 -0.202249D+00 -0.157230D+01 -0.365900D+01
               271           272           273           274           275 
      1   0.134434D+02 -0.436887D+01 -0.168049D+01 -0.428398D+01  0.301987D+01
      2  -0.436887D+01  0.240134D+01  0.379177D+00  0.301987D+01 -0.185923D+01
      3  -0.168049D+01  0.379177D+00  0.702314D+00  0.614556D+00 -0.412847D+00
               276           277           278           279           280 
      1   0.614556D+00 -0.462497D+00  0.290956D+00  0.126873D+01  0.906060D+01
      2  -0.412847D+00  0.290956D+00 -0.181060D+00 -0.780936D+00 -0.146298D+01
      3  -0.571493D+00  0.126873D+01 -0.780936D+00 -0.355788D+00  0.407143D+01
               281           282           283           284           285 
      1  -0.146298D+01  0.407143D+01  0.249030D+00  0.144213D+01 -0.325842D-01
      2   0.725662D+00 -0.883516D+00  0.144213D+01 -0.949737D+00  0.805388D+00
      3  -0.883516D+00  0.308397D+01 -0.325842D-01  0.805388D+00  0.332401D+00
               286           287           288           289           290 
      1   0.784676D+01 -0.199857D+01  0.513306D+01 -0.163899D+00 -0.111531D+01
      2  -0.199857D+01  0.113321D+01 -0.115642D+01 -0.111531D+01 -0.452645D+00
      3   0.513306D+01 -0.115642D+01  0.516479D+01  0.530944D-01  0.151745D+00
               291           292           293           294           295 
      1   0.530944D-01 -0.345950D+01  0.229269D+01 -0.201109D+00  0.513253D+00
      2   0.151745D+00  0.229269D+01 -0.768276D+01  0.101005D+01 -0.353610D+00
      3   0.524751D-01 -0.201109D+00  0.101005D+01 -0.911519D+00  0.885293D+00
               296           297           298           299           300 
      1  -0.353610D+00  0.885293D+00  0.274298D+01  0.341137D+01  0.102608D+01
      2   0.195855D+00 -0.696630D+00  0.341137D+01  0.684978D+01  0.124611D+01
      3  -0.696630D+00  0.541334D+00  0.102608D+01  0.124611D+01  0.630522D+00
               301           302           303           304           305 
      1   0.248773D+01  0.318728D+01  0.796995D+00  0.518482D+00  0.708776D+00
      2   0.318728D+01  0.118761D+02  0.175533D+01  0.708776D+00  0.639941D+00
      3   0.796995D+00  0.175533D+01  0.115030D+01  0.476499D+00  0.186534D+01
               306           307           308           309           310 
      1   0.476499D+00 -0.306974D+01  0.138767D+01  0.155103D+01  0.473336D+00
      2   0.186534D+01  0.138767D+01 -0.138891D+01 -0.106010D+01 -0.714199D+00
      3   0.739616D+00  0.155103D+01 -0.106010D+01 -0.172266D+01 -0.493172D+00
               311           312           313           314           315 
      1  -0.714199D+00 -0.493172D+00  0.170422D+01 -0.100117D+01 -0.156165D+01
      2   0.184591D+01  0.119455D+01 -0.100117D+01  0.223034D+01  0.153707D+01
      3   0.119455D+01  0.847280D+00 -0.156165D+01  0.153707D+01  0.267596D+01
               316           317           318           319           320 
      1   0.298893D+01  0.140095D+01 -0.158268D+01  0.492047D+00  0.624384D+00
      2   0.140095D+01  0.128964D+01 -0.104761D+01  0.624384D+00  0.168175D+01
      3  -0.158268D+01 -0.104761D+01  0.181056D+01 -0.450057D+00 -0.112490D+01
               321           322           323           324           325 
      1  -0.450057D+00 -0.163708D+01 -0.103483D+01  0.156401D+01 -0.252737D+01
      2  -0.112490D+01 -0.103483D+01 -0.209644D+01  0.149297D+01  0.321627D+01
      3   0.772586D+00  0.156401D+01  0.149297D+01 -0.270609D+01 -0.105079D+01
               326           327           328           329           330 
      1   0.321627D+01 -0.105079D+01  0.233318D+01 -0.296449D+01  0.839059D+00
      2  -0.674774D+01  0.137105D+01 -0.296449D+01  0.118238D+02 -0.193808D+01
      3   0.137105D+01 -0.658949D+00  0.839059D+00 -0.193808D+01  0.122938D+01
               331           332           333           334           335 
      1  -0.553632D+00  0.759082D+00 -0.460801D+00  0.258821D+01  0.105523D+01
      2   0.759082D+00 -0.871992D+00  0.189603D+01  0.105523D+01  0.629417D+00
      3  -0.460801D+00  0.189603D+01 -0.821740D+00 -0.267218D+01 -0.127438D+01
               336           337           338           339           340 
      1  -0.267218D+01  0.890681D+00  0.503180D+00 -0.504627D+00 -0.232035D+01
      2  -0.127438D+01  0.503180D+00  0.634157D+00 -0.397565D+00 -0.320616D+00
      3   0.412702D+01 -0.504627D+00 -0.397565D+00 -0.336786D+00  0.239476D+01
               341           342           343           344           345 
      1  -0.320616D+00  0.239476D+01 -0.305518D+00 -0.450745D+00 -0.101273D+00
      2  -0.666200D+00  0.443935D-01 -0.450745D+00 -0.329685D+00 -0.981785D-02
      3   0.443935D-01 -0.353876D+01 -0.101273D+00 -0.981785D-02  0.983967D+00
               346           347           348           349           350 
      1  -0.101704D+01 -0.837570D+00 -0.115635D+01 -0.477956D+00 -0.225946D+00
      2  -0.837570D+00 -0.338075D+01 -0.352114D+01 -0.225946D+00 -0.230471D+01
      3  -0.115635D+01 -0.352114D+01 -0.453637D+01  0.116535D+00 -0.271965D+01
               351           352           353           354           355 
      1   0.116535D+00 -0.555350D+01  0.325178D+01  0.134539D+00  0.640809D+01
      2  -0.271965D+01  0.325178D+01 -0.343122D+01  0.324930D+00 -0.575942D+01
      3  -0.398602D+01  0.134539D+00  0.324930D+00 -0.204957D+00 -0.586611D+00
               356           357           358           359           360 
      1  -0.575942D+01 -0.586611D+00 -0.243076D+01  0.197149D+01 -0.518555D+00
      2   0.827238D+01  0.101362D-01  0.197149D+01 -0.222730D+01  0.125847D+01
      3   0.101362D-01  0.100193D+01 -0.518555D+00  0.125847D+01 -0.596258D+00
               361           362           363           364           365 
      1   0.247891D+01  0.653356D+00  0.735007D+00  0.194494D+01 -0.597097D+00
      2   0.653356D+00  0.625374D+00  0.833436D+00 -0.597097D+00  0.244456D+01
      3   0.735007D+00  0.833436D+00  0.106896D+01 -0.802031D-01  0.141856D+01
               366           367           368           369           370 
      1  -0.802031D-01  0.226317D+01  0.638877D+00 -0.136993D+00 -0.801006D+01
      2   0.141856D+01  0.638877D+00  0.176504D+01  0.244726D+01  0.260199D+01
      3   0.131079D+01 -0.136993D+00  0.244726D+01  0.384407D+01  0.407241D+01
               371           372           373           374           375 
      1   0.260199D+01  0.407241D+01  0.397119D+01 -0.235418D+01 -0.238071D+01
      2  -0.143484D+01 -0.181134D+01 -0.235418D+01  0.202364D+01  0.184210D+01
      3  -0.181134D+01 -0.296086D+01 -0.238071D+01  0.184210D+01  0.174603D+01
               376           377           378           379           380 
      1   0.397456D+01 -0.163492D+01 -0.373639D+01  0.242017D+01 -0.103098D+01
      2  -0.163492D+01  0.116990D+01  0.149062D+01 -0.103098D+01  0.816781D+00
      3  -0.373639D+01  0.149062D+01  0.365454D+01  0.894904D+00 -0.498019D+00
               381           382           383           384           385 
      1   0.894904D+00 -0.197087D+01  0.645397D+00 -0.576122D+00  0.159388D+01
      2  -0.498019D+00  0.645397D+00 -0.187262D+01  0.127193D+01 -0.479516D+00
      3   0.455943D+00 -0.576122D+00  0.127193D+01 -0.185005D+01 -0.329887D+00
               386           387           388           389           390 
      1  -0.479516D+00 -0.329887D+00 -0.111545D+02 -0.381214D+01  0.127078D+01
      2   0.129002D+01 -0.121607D+01 -0.381214D+01 -0.202351D+01  0.595555D+00
      3  -0.121607D+01  0.322168D+01  0.127078D+01  0.595555D+00 -0.802147D+00
               391           392           393           394           395 
      1  -0.644204D+01 -0.360028D+01  0.114720D+01  0.318085D+01  0.153532D+01
      2  -0.360028D+01 -0.261980D+01  0.333056D+00  0.153532D+01  0.605182D+00
      3   0.114720D+01  0.333056D+00 -0.462535D+00 -0.179186D+01 -0.479825D+00
               396           397           398           399           400 
      1  -0.179186D+01 -0.469712D+01  0.135243D+01 -0.188571D+01  0.336559D+01
      2  -0.479825D+00  0.135243D+01 -0.107140D+01  0.820447D+00 -0.252984D+01
      3   0.785306D+00 -0.188571D+01  0.820447D+00 -0.111647D+01  0.199608D+01
               401           402           403           404           405 
      1  -0.252984D+01  0.199608D+01 -0.385541D+01  0.171496D+01 -0.238889D+01
      2   0.248210D+01 -0.145503D+01  0.171496D+01 -0.135913D+01  0.144588D+01
      3  -0.145503D+01  0.191784D+01 -0.238889D+01  0.144588D+01 -0.287849D+01
               406           407           408           409           410 
      1   0.254871D+00 -0.109852D+01  0.112778D+01 -0.408050D+01 -0.230928D+01
      2  -0.109852D+01 -0.106646D+00 -0.164701D-01 -0.230928D+01 -0.522030D+01
      3   0.112778D+01 -0.164701D-01  0.158466D+00 -0.469576D+00  0.666036D+00
               411           412           413           414           415 
      1  -0.469576D+00  0.366601D+01  0.164399D+00 -0.318273D+00 -0.349063D+01
      2   0.666036D+00  0.164399D+00  0.161461D+01 -0.121982D+01 -0.144309D+01
      3  -0.990449D+00 -0.318273D+00 -0.121982D+01  0.515885D+00 -0.233075D+01
               416           417           418           419           420 
      1  -0.144309D+01 -0.233075D+01 -0.243821D+01 -0.217907D+01 -0.160662D+01
      2  -0.110754D+01 -0.145894D+01 -0.217907D+01 -0.259153D+01 -0.190505D+01
      3  -0.145894D+01 -0.194068D+01 -0.160662D+01 -0.190505D+01 -0.188754D+01
               421           422           423 
      1  -0.503329D+01 -0.253061D+01 -0.394650D+01
      2  -0.253061D+01 -0.239834D+01 -0.329857D+01
      3  -0.394650D+01 -0.329857D+01 -0.583472D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.781708D+01  0.219754D+00 -0.365084D+01  0.339038D+01  0.732858D+01
      2   0.336804D+01  0.307164D+01  0.108214D+02  0.102241D+02  0.567874D+01
      3  -0.174927D+02  0.362785D+01  0.303355D+01  0.149561D+02  0.216076D+02
                 6             7             8             9            10 
      1  -0.552234D+01  0.396855D+01  0.777042D+01 -0.136380D+02 -0.329259D+01
      2   0.418528D+01 -0.159588D+02 -0.596938D+01  0.276799D+02 -0.266577D+02
      3  -0.233073D+01  0.490097D+01  0.233824D+01  0.297109D-01  0.201829D+02
                11            12            13            14            15 
      1   0.162894D+02 -0.160478D+01  0.355479D+02 -0.621170D+01 -0.573472D+01
      2  -0.153658D+02  0.194789D+01 -0.455812D+02 -0.788204D+01  0.196354D+02
      3  -0.128090D+02  0.659929D+01  0.126396D+01  0.126673D+02 -0.135740D+02
                16            17            18            19            20 
      1   0.175232D+01 -0.111315D+02  0.117752D+02 -0.109787D+02  0.134655D+02
      2   0.113334D+02  0.286796D+01 -0.207261D+02 -0.291743D+02  0.166395D+01
      3  -0.930808D+01  0.874171D+01  0.294385D+01  0.181670D+02 -0.127586D+02
                21            22            23            24            25 
      1  -0.118456D+02 -0.820827D+01 -0.127472D+01 -0.232311D+01  0.138643D+02
      2  -0.653570D+01  0.391081D+02 -0.101860D+02 -0.199743D+02 -0.417141D+02
      3   0.101258D+02 -0.238191D+01  0.121457D+01  0.165248D+02  0.167901D+01
                26            27            28            29            30 
      1  -0.624826D+01  0.671005D+00 -0.515777D+00  0.215405D+01 -0.262806D+01
      2  -0.857549D+01  0.892120D+01  0.289042D+00  0.703107D+00 -0.609875D+01
      3   0.161093D+02 -0.985106D+01  0.289399D+01 -0.529040D+01 -0.148395D+00
                31            32            33            34            35 
      1   0.801066D+00  0.105405D+02 -0.627105D+01 -0.947357D+01  0.116610D+01
      2  -0.554559D+01  0.491048D+01 -0.539789D+01 -0.180295D+02 -0.328603D+01
      3   0.143943D+02 -0.290468D+02 -0.486478D+00  0.107468D+01 -0.653826D+01
                36            37            38            39            40 
      1   0.330843D+00 -0.436281D+01  0.646346D+00  0.258907D+01  0.482500D+00
      2   0.567481D+00 -0.225581D+01  0.324032D+01  0.189130D+02  0.283103D+01
      3   0.873730D+01 -0.223212D+02 -0.223485D+01  0.346723D+00  0.100959D+01
                41            42            43            44            45 
      1   0.267856D+01 -0.151195D+01  0.334006D+01  0.319644D+01 -0.220788D+01
      2   0.538906D+01  0.107177D+02  0.197390D+02  0.116965D+02  0.497508D+01
      3   0.150508D+02 -0.579480D+01 -0.205602D+01 -0.483758D+01 -0.130939D+02
                46            47            48            49            50 
      1   0.555120D+01 -0.282854D+00  0.373586D+01 -0.271607D+01 -0.368307D+01
      2   0.572240D+01 -0.114642D+01 -0.193606D+02 -0.749742D+00 -0.410813D+01
      3   0.270536D+02 -0.401120D+01 -0.250948D+01 -0.215425D+01 -0.163276D+02
                51            52            53            54            55 
      1   0.277281D+01  0.792148D+01  0.742717D+01  0.972631D+00  0.310715D+01
      2  -0.128641D+02 -0.414026D+02 -0.175244D+02  0.850270D+00 -0.165344D+02
      3   0.515356D+01  0.127212D+00  0.328342D+01  0.865119D+01  0.246167D+02
                56            57            58            59            60 
      1  -0.115732D+02  0.641995D+01 -0.114657D+02 -0.456783D+01 -0.408614D+01
      2  -0.359193D+01  0.172361D+02  0.224234D+02  0.482504D+01 -0.720998D+01
      3   0.741080D+01 -0.676664D+01  0.103943D+01  0.346832D+01  0.635393D+01
                61            62            63            64            65 
      1  -0.187740D+02  0.107516D+02 -0.104840D+02 -0.600937D+01 -0.878448D+01
      2   0.126934D+02  0.621711D+01  0.731927D+01  0.249493D+02  0.845993D+01
      3   0.456250D+01 -0.789789D+01  0.131984D+02 -0.208775D+02 -0.364037D+00
                66            67            68            69            70 
      1   0.789667D-01  0.290310D+01 -0.149345D+02  0.892109D+01 -0.781309D+01
      2   0.612551D+01 -0.943243D+01  0.717668D+01  0.492283D+01  0.419951D+01
      3  -0.153182D+01  0.749053D+01  0.983926D+01 -0.172557D+02 -0.198318D+01
                71            72            73            74            75 
      1   0.101997D+02 -0.130473D+02  0.314993D+02 -0.162121D+02  0.102321D+02
      2   0.926729D+01  0.158793D+02  0.861248D+01 -0.209428D+01  0.440704D+01
      3  -0.725713D+01  0.394628D+00 -0.361399D+02  0.433016D+01 -0.926550D+01
                76            77            78            79            80 
      1   0.995693D+01  0.466224D+02  0.430510D+01  0.123529D+02  0.579234D+01
      2  -0.854814D+01  0.672695D+01  0.681360D+01 -0.302926D+00  0.678727D+01
      3  -0.399964D+01 -0.382040D+02 -0.725158D+01 -0.120603D+02  0.483301D+01
                81            82            83            84            85 
      1   0.238115D+02  0.425962D+01  0.588637D+00 -0.121682D+02 -0.106093D+02
      2  -0.932719D+01 -0.278660D+01  0.383874D+01  0.568881D+01  0.159701D+01
      3  -0.194156D+02  0.701333D+01 -0.182027D+02 -0.792826D+01  0.137703D+01
                86            87            88            89            90 
      1  -0.160325D+02 -0.650745D+01 -0.149853D+02  0.884807D+01 -0.982977D+01
      2  -0.818887D+00  0.147071D+01  0.167047D+01  0.233766D+01 -0.343435D+01
      3  -0.150191D+01  0.550669D+01 -0.767470D+01 -0.631970D+00  0.141809D+02
                91            92            93            94            95 
      1  -0.356190D+01  0.145651D+01  0.122552D+02 -0.975226D+01  0.151348D+02
      2  -0.184492D+01 -0.426864D+01  0.541768D+01  0.102877D+00 -0.168032D+01
      3  -0.721324D+01 -0.184894D+02  0.820158D+01  0.125157D+01  0.246184D+01
                96            97            98            99           100 
      1  -0.668420D+01  0.155534D+02  0.899849D+01  0.102966D+02 -0.315030D+02
      2  -0.127895D+01  0.793567D+00 -0.289979D+01 -0.341115D+01  0.184708D+02
      3   0.470856D+01  0.648503D+01 -0.116821D+01 -0.139245D+02  0.391485D+02
               101           102           103           104           105 
      1  -0.135867D+02 -0.949366D+01  0.750439D+01 -0.455093D+02  0.569458D+01
      2   0.409435D+01  0.443385D+01  0.521565D+01  0.885411D+01 -0.604142D+01
      3   0.265721D+01  0.738712D+01 -0.392846D+01  0.379654D+02 -0.724218D+01
               106           107           108           109           110 
      1  -0.127938D+02  0.263086D+01 -0.261339D+02  0.816608D+01  0.151346D+02
      2  -0.369932D-01 -0.727928D+01 -0.618433D+01 -0.289908D+02  0.130467D+02
      3   0.140059D+02  0.608818D+01  0.214754D+02 -0.201188D+02 -0.145027D+02
               111           112           113           114           115 
      1  -0.920109D+00  0.368914D+02  0.310944D+01 -0.491548D+01 -0.486810D+01
      2  -0.317758D+01  0.360863D+02 -0.134478D+02 -0.182301D+02  0.946039D+01
      3  -0.660570D+01 -0.327410D+01 -0.141804D+02 -0.885034D+01  0.450845D+01
               116           117           118           119           120 
      1  -0.107800D+02 -0.125711D+02  0.146013D+02  0.140233D+02  0.101450D+02
      2  -0.182037D+01 -0.199552D+02 -0.331427D+02 -0.615968D+01 -0.653168D+01
      3   0.872372D+01 -0.271691D+01 -0.169377D+02 -0.143085D+02 -0.801346D+01
               121           122           123           124           125 
      1  -0.104283D+02  0.223300D+01 -0.257148D+01 -0.162354D+02 -0.634137D+01
      2  -0.351381D+02 -0.640404D+01  0.240485D+02 -0.380510D+02  0.952819D+01
      3   0.274512D+01  0.196072D+01  0.149856D+02  0.306795D+01  0.156621D+02
               126           127           128           129           130 
      1   0.129555D+01 -0.861892D+01 -0.133236D+02 -0.570045D+01 -0.130980D+02
      2   0.125876D+02 -0.191393D+02  0.558763D+01  0.215492D+02 -0.192614D+02
      3   0.877060D+01 -0.182461D+02  0.912195D+01  0.702971D+01  0.327221D+01
               131           132           133           134           135 
      1   0.384806D+01 -0.476166D+01  0.222351D+02  0.998041D+01  0.113196D+02
      2   0.498301D+01  0.745795D+01  0.890091D+01 -0.732326D+01  0.703024D+01
      3  -0.266272D+01  0.505320D+01 -0.798027D+01 -0.734882D+01 -0.122764D+02
               136           137           138           139           140 
      1   0.547021D+01 -0.800563D+01  0.655652D+00  0.710574D+01  0.173860D+02
      2   0.247266D+02 -0.770113D+01  0.588216D+01  0.106079D+02  0.567356D+01
      3   0.188780D+02 -0.627738D+00  0.104966D+01  0.402820D+01 -0.125066D+02
               141           142           143           144           145 
      1   0.989298D+01  0.915317D+01  0.123273D+02  0.142939D+02  0.465834D+01
      2  -0.984787D+01  0.409373D+01 -0.968953D+01  0.161678D+02  0.604095D+01
      3  -0.169040D+02  0.125128D+01 -0.740542D+01 -0.154719D+01  0.253133D+01
               146           147           148           149           150 
      1   0.530995D+01  0.243655D+01  0.533705D+01  0.626376D+00  0.537253D-01
      2   0.461042D+01  0.924144D+01 -0.995276D+01  0.465379D+01  0.922120D+01
      3   0.339119D+01 -0.113241D+02  0.145392D+02 -0.625108D+01 -0.272911D+01
               151           152           153           154           155 
      1  -0.421214D+01  0.109608D+02  0.683468D+01 -0.453139D+01 -0.282914D+01
      2  -0.697412D+01  0.185153D+02  0.173485D+02  0.103142D+02 -0.140878D+02
      3  -0.124588D+02 -0.642395D+01 -0.119100D+02 -0.163263D+02 -0.681457D+01
               156           157           158           159           160 
      1   0.513492D+01 -0.596561D+01  0.151311D+01 -0.512082D+01  0.787351D+01
      2  -0.284066D+01 -0.199091D+02  0.834129D+01 -0.115277D+02 -0.803597D+01
      3   0.183403D+02 -0.600356D+01  0.479358D+01 -0.366176D+01  0.233400D+02
               161           162           163           164           165 
      1  -0.269371D+00  0.234873D+01  0.933434D+00 -0.135137D+01 -0.168933D+01
      2  -0.128624D+02  0.483004D+01 -0.339971D+01  0.191765D+02  0.520872D+01
      3  -0.372502D+01  0.784473D+01  0.189892D+02  0.621602D+01 -0.182586D+02
               166           167           168           169           170 
      1  -0.189624D+01 -0.129410D+01 -0.312657D+01 -0.378788D+01 -0.284318D+00
      2   0.310202D+02 -0.348577D+01  0.100266D+02 -0.439250D+01  0.107561D+02
      3   0.194138D+02 -0.350011D+01  0.612839D+01 -0.298094D+02  0.376195D+01
               171           172           173           174           175 
      1  -0.996745D+00 -0.197561D+01  0.311598D+01  0.905617D+00  0.210454D+01
      2  -0.265396D+01  0.685783D+01 -0.905518D+01 -0.593688D+01 -0.600447D+01
      3  -0.112751D+02 -0.518652D+00  0.682406D+00  0.992629D+01  0.130413D+02
               176           177           178           179           180 
      1  -0.106459D+02  0.526936D+00  0.585273D+01  0.128855D+02  0.320595D+01
      2   0.134196D+02 -0.752034D+01 -0.214273D+02 -0.146232D+02 -0.495352D+01
      3   0.153975D+02 -0.110542D+02  0.120621D+02 -0.100373D+02  0.118768D+02
               181           182           183           184           185 
      1   0.249621D+01  0.152787D+02  0.242202D+00 -0.261044D+02 -0.152792D+01
      2   0.585304D+02  0.682654D+00  0.255161D+02  0.331797D+01 -0.641183D+01
      3  -0.224680D+01 -0.196324D+02 -0.178328D+01  0.853730D+02 -0.109206D+01
               186           187           188           189           190 
      1  -0.554051D+02 -0.252229D+01  0.230073D+02 -0.104980D+01  0.215665D+01
      2  -0.745213D+00 -0.428971D+02  0.848726D+00 -0.293965D+02  0.180257D+01
      3   0.840138D+01 -0.409995D+01 -0.216318D+02  0.193592D+01 -0.117092D+02
               191           192           193           194           195 
      1  -0.570062D+01 -0.456142D+00 -0.775199D+01  0.780273D+01 -0.781649D+01
      2  -0.595230D-01  0.573695D+01  0.813571D+00  0.157344D+01 -0.181406D+01
      3  -0.905176D+01 -0.104932D+01  0.572495D+01  0.577715D+01  0.747349D+01
               196           197           198           199           200 
      1   0.144199D+01  0.110146D+02 -0.394671D+01 -0.421636D+01 -0.662012D+01
      2  -0.769103D+01  0.672586D+00  0.263940D+01  0.322807D+01 -0.274375D+00
      3  -0.440956D+01  0.488404D+01 -0.145888D+01  0.968874D+01 -0.104298D+02
               201           202           203           204           205 
      1   0.885871D-01 -0.895386D+01 -0.629511D+01 -0.555767D+01 -0.508844D+00
      2   0.765680D+01 -0.235773D+01  0.241739D+01  0.279668D+01 -0.620114D+01
      3   0.298374D+01  0.175019D+01 -0.549982D+01  0.848109D+01  0.765606D+01
               206           207           208           209           210 
      1   0.120791D+02  0.272035D+01  0.191458D+01 -0.206126D+01  0.797440D-01
      2  -0.104798D+01  0.232350D+01  0.957531D+01 -0.497112D+01 -0.919596D+01
      3   0.638610D+01  0.375285D+00 -0.951819D+00  0.132300D+00  0.334295D+01
               211           212           213           214           215 
      1  -0.107370D+01  0.140900D+01  0.883697D+00  0.181820D+01  0.237698D+01
      2  -0.673403D+01  0.227026D+01  0.157060D+01 -0.125071D+02  0.733633D+00
      3   0.315059D+01 -0.583957D+00 -0.828272D+00  0.394566D+01  0.904667D+00
               216           217           218           219           220 
      1  -0.240468D+01 -0.977320D+00  0.202570D+01 -0.518905D+00  0.269119D+01
      2   0.958567D+01 -0.375183D+00  0.790153D+00 -0.122082D+01  0.185198D+01
      3  -0.253993D+01  0.124046D+01 -0.202568D+01 -0.401855D+00  0.899598D+00
               221           222           223           224           225 
      1  -0.859219D+01  0.610497D+01 -0.445489D+00  0.765404D+01 -0.507068D+01
      2   0.380387D+01 -0.466319D+01 -0.234122D+01 -0.512027D+01  0.760917D+01
      3   0.532984D+01 -0.630231D+01 -0.512396D+00 -0.509703D+01  0.530247D+01
               226           227           228           229           230 
      1   0.362742D+01 -0.816488D-01  0.240223D+01 -0.848840D+00  0.110361D+01
      2  -0.715487D+01  0.246066D+00 -0.631060D+01 -0.245051D+01 -0.441998D+01
      3  -0.960323D+00  0.245882D+00 -0.279331D+01 -0.241417D+01 -0.289131D+01
               231           232           233           234           235 
      1   0.194714D+01 -0.326047D+01  0.375782D+00  0.141349D+02 -0.223071D+01
      2  -0.249150D+01 -0.238150D+01  0.578829D+01 -0.273863D+02  0.323603D+01
      3   0.309081D+01 -0.505415D+01  0.879759D+00 -0.287683D+01 -0.456501D+01
               236           237           238           239           240 
      1  -0.106257D+01  0.429269D+00  0.411526D+00 -0.744648D+01 -0.307224D+01
      2   0.463476D+00 -0.678629D+00 -0.456580D+00 -0.615540D+01  0.321307D+01
      3  -0.831279D+00  0.119573D+01  0.527421D+01 -0.295964D+02  0.199793D+01
               241           242           243           244           245 
      1   0.124461D+00 -0.139456D+01  0.320738D+00  0.172947D+01 -0.963661D+00
      2  -0.246821D+00  0.352547D+01 -0.271283D+01 -0.116822D+02 -0.398804D+01
      3   0.132886D+01 -0.156619D+01 -0.322640D+01 -0.429194D+01 -0.573906D+01
               246           247           248           249           250 
      1  -0.297301D+01  0.737444D+00  0.203728D+00 -0.147172D+01 -0.549778D+01
      2   0.124448D+02 -0.408501D+01 -0.560886D+01  0.686794D+01  0.191123D+02
      3   0.173738D+01 -0.447866D+01 -0.391545D+01  0.506888D+01  0.465887D+00
               251           252           253           254           255 
      1   0.115349D+01  0.477283D+01 -0.359923D+01 -0.100496D+01 -0.269917D+01
      2   0.105968D+02 -0.225652D+02  0.102638D+02  0.426347D+01  0.102383D+02
      3   0.810525D+01 -0.511255D+01 -0.613363D+01 -0.610351D+01 -0.608601D+00
               256           257           258           259           260 
      1  -0.199628D+01 -0.176190D+01 -0.347261D+01 -0.422197D+01 -0.164782D+01
      2   0.545412D+01  0.654572D+01  0.673594D+01  0.161049D+02  0.944445D+01
      3  -0.333576D+01 -0.583798D+01 -0.483037D+01 -0.898155D+00 -0.100586D+02
               261           262           263           264           265 
      1  -0.548946D+01  0.155811D+01  0.135192D+01 -0.100797D+01  0.646884D+00
      2   0.183425D+02 -0.112273D+02 -0.414697D+01 -0.798877D+01 -0.318462D+01
      3  -0.495767D+01  0.128384D+02  0.576906D+01  0.263700D+01  0.739942D+01
               266           267           268           269           270 
      1  -0.226679D+00 -0.114684D+01  0.483968D-01  0.229964D+01 -0.275902D+01
      2  -0.614117D+01 -0.589733D+01 -0.103876D+02 -0.863579D+01 -0.202287D+02
      3   0.554783D+01  0.532865D+01  0.557877D+01  0.911517D+01  0.919418D+01
               271           272           273           274           275 
      1   0.850901D+00 -0.224701D+01  0.158289D+01 -0.963876D+00  0.766397D+00
      2  -0.106959D+01 -0.486758D+00  0.579186D+01  0.363412D-01 -0.512075D+00
      3   0.104268D+02 -0.129908D+02 -0.499645D+00 -0.912846D+01  0.727564D+01
               276           277           278           279           280 
      1  -0.143555D+01  0.469050D+00  0.402841D+00 -0.198535D-01  0.271387D+01
      2  -0.389698D+01  0.355764D+01 -0.380739D+01 -0.132472D+01  0.155468D+01
      3   0.124618D+01 -0.713838D+00  0.422970D+00  0.346789D+01 -0.448554D+01
               281           282           283           284           285 
      1   0.309557D+00  0.424861D+01  0.134560D+01 -0.881562D-01  0.607159D+00
      2  -0.771342D+00  0.100191D+02 -0.128053D+01  0.987974D+00  0.200970D+01
      3  -0.381196D+01 -0.154748D+01 -0.581814D+01  0.321215D+01 -0.329589D+01
               286           287           288           289           290 
      1   0.405955D+01  0.244075D+01  0.519282D+01 -0.285227D+01 -0.221103D+01
      2   0.757242D+01 -0.117350D+01  0.146843D+02  0.140301D+01 -0.904723D-01
      3  -0.597182D+00 -0.373640D+01 -0.112069D+01  0.746860D+01  0.540345D+01
               291           292           293           294           295 
      1  -0.367773D+00  0.177699D+01 -0.875619D+01 -0.385010D+01 -0.861521D+00
      2  -0.369970D+00  0.328749D+01 -0.172793D+01 -0.393792D+01 -0.932717D+00
      3   0.151275D+01 -0.475817D+00  0.345384D+02 -0.294801D+01  0.327258D+01
               296           297           298           299           300 
      1  -0.649642D-01 -0.245465D+01 -0.745320D+00  0.508971D+01 -0.322102D+01
      2  -0.294162D+01 -0.129683D+01 -0.281978D+01 -0.150670D+01  0.704737D+00
      3   0.175943D+01  0.408541D+01  0.117334D+02  0.663682D+01  0.407354D+01
               301           302           303           304           305 
      1  -0.207504D+01  0.727148D+01 -0.699572D+01 -0.204571D+01 -0.512635D+01
      2  -0.206325D+01 -0.208327D+00  0.534985D+00 -0.161799D+01  0.411289D+00
      3   0.123091D+02  0.558079D+01  0.395027D+01  0.261163D+01  0.171821D+01
               306           307           308           309           310 
      1  -0.519876D+00 -0.497681D+01  0.175572D+01  0.776415D+01  0.142000D+01
      2   0.110055D+01  0.801724D+01 -0.124590D+01 -0.204892D+01  0.771667D+00
      3   0.906650D+00 -0.172179D+02  0.381502D+01  0.695389D+01  0.274704D+01
               311           312           313           314           315 
      1  -0.414339D+01 -0.220265D+01  0.572393D+01 -0.172327D+00 -0.802616D+01
      2   0.146635D+01  0.542826D+00 -0.581765D+01  0.193675D+01  0.293764D+01
      3  -0.262961D+01 -0.256954D+01  0.871508D+01 -0.489241D+01 -0.785870D+01
               316           317           318           319           320 
      1   0.460311D+01  0.155502D+01 -0.798831D+01  0.134028D+01  0.405329D+01
      2   0.671944D+01  0.125359D+01 -0.153369D+01 -0.621623D+00  0.879653D+00
      3   0.160588D+02  0.407020D+01 -0.686220D+01  0.296975D+01  0.187163D+01
               321           322           323           324           325 
      1  -0.203740D+01 -0.528207D+01 -0.327254D+00  0.803898D+01  0.120164D+01
      2  -0.438217D+00 -0.502906D+01 -0.195671D+01  0.259826D+01 -0.293079D+01
      3  -0.224298D+01 -0.783639D+01 -0.478098D+01  0.752251D+01 -0.114123D+02
               326           327           328           329           330 
      1   0.483718D+01  0.275569D+01 -0.236236D+01 -0.675322D+01 -0.702802D+01
      2   0.107683D+01  0.676988D+00  0.252108D+01  0.913121D-02 -0.361038D+00
      3   0.663811D+01 -0.397533D+01  0.121420D+02 -0.611867D+01  0.434175D+01
               331           332           333           334           335 
      1   0.178894D+01 -0.501774D+01  0.842383D+00 -0.215824D+01 -0.195419D+01
      2  -0.195514D+01 -0.145503D+00  0.967706D+00  0.118783D+02  0.520281D+01
      3  -0.309023D+01  0.163641D+01 -0.106283D+01  0.132737D+01 -0.198879D+00
               336           337           338           339           340 
      1  -0.546669D+00 -0.104849D+01 -0.109373D+01  0.114273D+01 -0.188645D+01
      2  -0.820785D+01  0.683803D+01  0.206863D+01 -0.913887D+00 -0.123912D+02
      3  -0.319004D+01  0.265617D+01  0.373055D+00 -0.600649D+00 -0.343251D+01
               341           342           343           344           345 
      1   0.220693D+01  0.228955D+01  0.148179D+01  0.156999D+01  0.462360D+00
      2  -0.337355D+00  0.855499D+01 -0.176331D+00 -0.105558D+01 -0.133185D+01
      3   0.105239D+01  0.207196D+01 -0.135017D+01 -0.169055D+01  0.103816D+00
               346           347           348           349           350 
      1   0.208447D+01  0.900669D+01  0.625371D+01  0.822629D+00  0.762989D+01
      2  -0.227749D+01  0.371249D+01  0.455785D+01 -0.249661D+01  0.489394D+01
      3   0.129260D+01 -0.531162D+01 -0.587409D+01  0.255325D+00 -0.504200D+01
               351           352           353           354           355 
      1   0.536339D+01  0.147094D+01 -0.291238D+01  0.267752D+01 -0.220599D+01
      2   0.708091D+01  0.245877D+01 -0.209286D+01  0.285048D+01  0.226839D+01
      3  -0.548490D+01 -0.168459D+01 -0.579687D+01  0.218143D+01 -0.291518D+01
               356           357           358           359           360 
      1   0.455730D+01 -0.499837D+01  0.183032D+01 -0.321047D+01  0.170773D+01
      2  -0.663569D+00 -0.571297D+01  0.245492D+00 -0.536182D+01  0.107893D+01
      3   0.177523D+02 -0.154042D+01 -0.205277D+00 -0.428867D+01  0.447180D+01
               361           362           363           364           365 
      1  -0.390175D+00 -0.130367D+01 -0.285046D+01  0.144713D+01 -0.151685D+01
      2  -0.922584D+01 -0.595187D+01 -0.708399D+01  0.255942D+00 -0.848858D+01
      3   0.118706D+02  0.474975D+01  0.559661D+01  0.448467D+01  0.765815D+01
               366           367           368           369           370 
      1  -0.307107D+01  0.156372D+01 -0.171575D+01 -0.858816D+01  0.512461D+00
      2  -0.653737D+01 -0.779143D+01 -0.127416D+02 -0.179404D+02 -0.724091D+01
      3   0.555540D+01  0.823994D+01  0.889131D+01  0.110085D+02  0.514234D+01
               371           372           373           374           375 
      1  -0.224429D+01  0.164686D+00 -0.620206D+00  0.247280D+01  0.621789D-01
      2   0.528825D+01  0.112271D+02  0.543475D+01 -0.591694D+01 -0.599975D+01
      3  -0.716995D+01 -0.560927D+01 -0.481658D+01  0.923198D+01  0.635565D+01
               376           377           378           379           380 
      1   0.181544D-01  0.249362D+01 -0.969652D+00 -0.319321D+01  0.337175D+01
      2   0.911326D+01 -0.448285D+01 -0.134185D+02 -0.118126D+02  0.611239D+01
      3  -0.500934D+01  0.535379D+01  0.406196D+01 -0.455851D+01  0.558460D+01
               381           382           383           384           385 
      1  -0.205960D+01  0.399183D+01 -0.630016D+01  0.227163D+01 -0.276386D+01
      2  -0.462315D+01  0.105400D+02 -0.966531D+01  0.113378D+02 -0.599440D+01
      3  -0.339512D+01  0.952087D+01 -0.126865D+02  0.621350D+01 -0.434897D+01
               386           387           388           389           390 
      1   0.500862D+01 -0.369416D+01  0.832947D+00 -0.139383D+00 -0.138034D+01
      2   0.819468D+01 -0.153406D+02 -0.873814D+01 -0.427085D+01  0.768020D+01
      3   0.631851D+01 -0.632686D+01 -0.166470D+02 -0.128833D+02  0.292662D+01
               391           392           393           394           395 
      1   0.135230D+01 -0.253861D+00 -0.168852D+01 -0.500622D+00  0.859650D+00
      2  -0.880634D+01 -0.259083D+01  0.445249D+01  0.866913D+01  0.266091D+01
      3  -0.147085D+02 -0.145552D+02  0.109271D+01  0.720952D+01  0.401291D+01
               396           397           398           399           400 
      1   0.112949D+01 -0.126904D+01  0.830854D+00  0.307338D-01  0.901816D+00
      2  -0.582020D+01  0.821562D+01 -0.405556D+01  0.656162D+01 -0.874187D+01
      3  -0.197845D+01  0.618958D+01 -0.747301D+01  0.521512D+01 -0.111212D+02
               401           402           403           404           405 
      1  -0.121239D+01 -0.875450D+00 -0.250720D+00  0.237606D+01  0.813442D-01
      2   0.629390D+01 -0.116664D+02  0.797428D+01 -0.704777D+01  0.153299D+02
      3   0.156385D+02 -0.795880D+01  0.970588D+01 -0.922299D+01  0.797516D+01
               406           407           408           409           410 
      1   0.651947D+01 -0.297799D+01  0.879191D+00 -0.399986D+00  0.896119D+01
      2  -0.453933D+01  0.171634D+01 -0.148490D+01 -0.145389D+01 -0.101789D+02
      3  -0.716643D+01  0.291347D+01 -0.526128D+01  0.448556D+00 -0.226945D+02
               411           412           413           414           415 
      1  -0.632041D+01  0.101977D+01 -0.512019D+01  0.602565D+01 -0.214036D+01
      2   0.575666D+01  0.136697D+01  0.939171D+01 -0.899783D+01  0.476736D+01
      3   0.666622D+01 -0.926744D+01  0.105547D+02 -0.107711D+02 -0.163419D+01
               416           417           418           419           420 
      1  -0.946313D+00 -0.262621D+01  0.289186D+00  0.128621D+01 -0.153594D+01
      2   0.405583D+01  0.626149D+01  0.202849D+01  0.404149D+01  0.609200D+01
      3  -0.464523D+01 -0.338564D+01 -0.425345D+01 -0.884613D+01 -0.548286D+01
               421           422           423 
      1  -0.185789D+01  0.290052D-01 -0.566110D+01
      2   0.564759D+01  0.980671D+01  0.200147D+02
      3  -0.324422D+01 -0.794869D+01 -0.969690D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393378D+02  0.877381D+01  0.104409D+02  0.180006D+02  0.174422D+02
      2   0.218352D+02 -0.623217D+01 -0.862341D+00 -0.165208D+02 -0.384537D+02
      3   0.175026D+02 -0.254163D+01 -0.957853D+01 -0.147976D+01  0.210115D+02
      4   0.682699D+00 -0.407519D+01  0.110513D+01 -0.723940D+01 -0.454833D+02
      5   0.738492D+01 -0.175569D+01  0.817877D+01  0.655224D+00  0.313654D+01
      6  -0.191682D+01  0.296855D+00  0.416419D+01  0.356025D+01  0.854286D+01
                 6             7             8             9            10 
      1   0.185684D+01  0.117047D+02  0.324708D+01  0.155473D+02  0.270740D+02
      2   0.562468D+01 -0.623969D+01 -0.156168D+01  0.538101D+01 -0.243801D+02
      3  -0.748153D+01 -0.546506D+01 -0.168541D+01 -0.209283D+02 -0.269398D+01
      4   0.601299D+01  0.993828D+01  0.357390D+01  0.406637D+01  0.312653D+02
      5   0.467050D+01  0.355271D+01 -0.249989D+00  0.187693D+02 -0.212418D+01
      6   0.212985D+01 -0.715240D+00  0.668880D-01  0.104274D+02 -0.496240D+01
                11            12            13            14            15 
      1   0.109062D+02 -0.436334D+01  0.521266D+02  0.824737D+01 -0.111327D+02
      2   0.124649D+02  0.241758D+01 -0.149709D+02 -0.145607D+02  0.419194D+01
      3  -0.233711D+02  0.194577D+01 -0.371557D+02  0.631336D+01  0.694077D+01
      4   0.133784D+02 -0.827995D+01  0.189407D+02  0.153923D+02 -0.151144D+01
      5  -0.560891D+01  0.107132D+02 -0.223820D+01 -0.324148D+01  0.362612D+01
      6   0.617863D+01 -0.131341D+01 -0.114962D+01 -0.229101D+01  0.654043D+01
                16            17            18            19            20 
      1  -0.244448D+02  0.515518D+01  0.783132D+01  0.654252D+02 -0.174431D+02
      2   0.504634D+01 -0.109345D+02 -0.379409D+01 -0.367577D+02  0.180445D+02
      3   0.193985D+02  0.577936D+01 -0.403723D+01 -0.286675D+02 -0.601360D+00
      4  -0.326404D+01 -0.105386D+02  0.101787D+02 -0.287453D+02  0.117323D+02
      5   0.189412D+02  0.772810D+01 -0.983918D+01  0.436346D+02 -0.937234D+01
      6   0.715178D+01  0.243142D+01 -0.425944D+01 -0.103537D+02  0.556718D+01
                21            22            23            24            25 
      1   0.170618D+02 -0.544991D+02  0.403527D+01  0.113246D+02  0.250192D+02
      2  -0.204304D+02  0.179006D+02  0.109440D+02 -0.842805D+01 -0.437075D+01
      3   0.336860D+01  0.365985D+02 -0.149793D+02 -0.289655D+01 -0.206484D+02
      4  -0.866651D+01  0.325975D+01 -0.138356D+02  0.686938D+01  0.161154D+02
      5   0.151842D+02  0.660836D+01  0.860765D+01 -0.104498D+01 -0.102370D+01
      6  -0.630818D+01  0.780568D+01 -0.301293D+01 -0.250982D+01  0.108584D+01
                26            27            28            29            30 
      1   0.956166D+01 -0.493312D+01 -0.449049D+02  0.523453D+01 -0.233027D+02
      2  -0.979524D+01 -0.846977D+00  0.331541D+02 -0.976154D+01  0.176459D+02
      3   0.233578D+00  0.578010D+01  0.117509D+02  0.452701D+01  0.565686D+01
      4   0.115241D+01 -0.362001D+01  0.953499D+01  0.304878D+01  0.120572D+02
      5  -0.697145D+00  0.251168D+01 -0.452175D+02  0.118983D+02 -0.369716D+02
      6   0.906489D+00  0.105924D+02  0.109750D+02 -0.233621D+01  0.846417D+01
                31            32            33            34            35 
      1   0.157682D+01  0.101600D+02  0.378662D+01 -0.351976D+02  0.146332D+02
      2   0.678190D+01 -0.232796D+02 -0.324191D+00  0.286407D+02 -0.109797D+02
      3  -0.835873D+01  0.131196D+02 -0.346243D+01  0.655691D+01 -0.365346D+01
      4  -0.102666D+02  0.384859D+02 -0.482415D+01  0.178929D+02  0.625176D+01
      5   0.800152D+01 -0.718369D+01 -0.689995D+01 -0.606173D+02 -0.659163D+00
      6  -0.484223D+01  0.762397D+01  0.125652D+01  0.129791D+02 -0.935000D+00
                36            37            38            39            40 
      1  -0.390585D+02 -0.784814D+02  0.511137D+02  0.138803D+02  0.542421D+02
      2   0.285913D+02  0.349911D+02 -0.233187D+02 -0.384853D+01 -0.264594D+02
      3   0.104672D+02  0.434902D+02 -0.277950D+02 -0.100318D+02 -0.277828D+02
      4   0.222112D+00  0.573483D+02 -0.128726D+02 -0.525362D+01 -0.192759D+02
      5  -0.232457D+02  0.153868D+02 -0.576339D+01  0.254906D+02 -0.301026D+01
      6   0.363630D+01 -0.841716D+01  0.240395D+01 -0.471661D+01  0.135304D+01
                41            42            43            44            45 
      1  -0.133166D+02  0.118778D+01  0.543705D+01  0.245455D+01  0.345978D+02
      2   0.852990D+01  0.832758D+00  0.905127D+00  0.177662D+01 -0.169339D+02
      3   0.478670D+01 -0.202054D+01 -0.634218D+01 -0.423117D+01 -0.176639D+02
      4  -0.152434D+02  0.720390D+01 -0.128718D+01  0.654098D+01  0.172954D+02
      5   0.757738D+01  0.169142D+02  0.337292D+02  0.181461D+02  0.496104D+01
      6   0.610594D+00 -0.362844D+01 -0.256751D+01 -0.262550D+01 -0.498750D+01
                46            47            48            49            50 
      1   0.183904D+02 -0.330531D+02 -0.503384D+00 -0.492134D+02 -0.108618D+02
      2  -0.786040D+01  0.189506D+02 -0.610989D+01  0.270348D+02  0.104198D+02
      3  -0.105300D+02  0.141025D+02  0.661327D+01  0.221786D+02  0.442063D+00
      4  -0.357147D+02 -0.116270D+02  0.374944D+01 -0.192781D+02  0.168530D+02
      5   0.684372D+01  0.624312D+01 -0.412928D+02  0.528777D+01 -0.344067D+01
      6   0.643943D+01 -0.105691D+00 -0.104798D+02  0.179092D+01 -0.359456D+01
                51            52            53            54            55 
      1   0.734625D+00  0.115989D+02 -0.139058D+00 -0.564703D+02 -0.474039D+01
      2  -0.436250D+01 -0.153592D+02 -0.475313D+01  0.294898D+02 -0.103112D+02
      3   0.362788D+01  0.376029D+01  0.489219D+01  0.269804D+02  0.150516D+02
      4  -0.355198D+01  0.310927D+01 -0.465113D+01 -0.431996D+02  0.157800D+02
      5  -0.262121D+02 -0.736822D+02 -0.370643D+02  0.135958D+02  0.346527D+01
      6  -0.837243D+01 -0.206233D+02 -0.790447D+01  0.429537D+01 -0.404021D+01
                56            57            58            59            60 
      1   0.924873D+01 -0.243663D+02 -0.409532D+01 -0.175168D+01  0.694487D+01
      2  -0.105335D+02 -0.114097D+02 -0.268705D+01  0.963301D+01  0.209815D+01
      3   0.128479D+01  0.357760D+02  0.678237D+01 -0.788132D+01 -0.904302D+01
      4  -0.254138D+01 -0.516782D+00  0.573109D+01  0.393786D+01 -0.249803D+01
      5  -0.315494D-01  0.270369D+02 -0.894392D+00 -0.151841D+01  0.601452D+01
      6   0.289615D+01  0.810124D+01 -0.232122D+00  0.334786D+01 -0.942153D+01
                61            62            63            64            65 
      1   0.335499D+01 -0.168401D+02 -0.385979D+01 -0.619181D+00 -0.600962D+01
      2  -0.236340D+02  0.107166D+02 -0.299520D+02  0.618808D+01 -0.371326D+01
      3   0.202790D+02  0.612347D+01  0.338118D+02 -0.556890D+01  0.972288D+01
      4  -0.130726D+02  0.416308D+01  0.176120D+00 -0.464529D+00  0.104182D+02
      5   0.297285D+02 -0.529660D+00  0.325310D+02  0.567187D+01 -0.317157D+01
      6  -0.529210D+01 -0.562208D+01  0.105318D+01 -0.131929D+01 -0.558540D+00
                66            67            68            69            70 
      1   0.637131D+01 -0.705643D+01  0.808783D+01 -0.282469D+02 -0.194662D+01
      2  -0.760565D+01 -0.934092D+00 -0.199594D+02 -0.496455D+01 -0.519251D+01
      3   0.123434D+01  0.799052D+01  0.118716D+02  0.332115D+02  0.713913D+01
      4  -0.365146D+01  0.432572D+01  0.114448D+01  0.121010D+01 -0.461637D+01
      5   0.403439D+01 -0.472271D+00  0.116772D+01  0.203500D+02  0.314844D+01
      6   0.134822D+02  0.305819D+01  0.640602D+01  0.161874D+02  0.433444D+01
                71            72            73            74            75 
      1  -0.239413D+02 -0.221444D+02 -0.318607D+01 -0.365112D+01 -0.413235D+01
      2   0.129327D+02 -0.169919D+02  0.127094D+02 -0.892173D+01  0.158862D+01
      3   0.110087D+02  0.391363D+02 -0.952330D+01  0.125728D+02  0.254372D+01
      4   0.973902D+01  0.890204D+01 -0.948516D+01 -0.877998D+00  0.168905D+02
      5   0.777157D+01  0.232011D+02  0.596710D+01  0.134208D+02 -0.170396D+01
      6   0.164302D+02  0.211141D+02  0.126848D+02  0.644589D+01  0.372639D+01
                76            77            78            79            80 
      1   0.144693D+02 -0.378841D+02 -0.953140D+01  0.159580D+01  0.515676D+01
      2  -0.692028D+01  0.561125D+02 -0.191640D+01 -0.133993D+01  0.688001D+00
      3  -0.754902D+01 -0.182284D+02  0.114478D+02 -0.255870D+00 -0.584476D+01
      4   0.729880D+01  0.248860D+02  0.418444D+01  0.838018D+01  0.726027D+01
      5   0.123171D+01  0.550719D+01  0.495250D+01 -0.282224D+01  0.137504D+01
      6   0.233324D+01  0.225147D+02  0.112709D+02  0.568837D+01  0.945762D+01
                81            82            83            84            85 
      1  -0.961284D+01  0.893900D+01  0.189931D+02  0.245054D+00  0.139034D+02
      2   0.115405D+02 -0.148569D+02 -0.433615D+02 -0.688716D+01 -0.266965D+02
      3  -0.192766D+01  0.591791D+01  0.243683D+02  0.664211D+01  0.127931D+02
      4  -0.276742D+01 -0.116628D+01 -0.235768D+02 -0.137300D+02 -0.155095D+02
      5   0.564087D+01  0.482635D+00 -0.814371D+01 -0.485878D+01 -0.349800D+01
      6  -0.119705D+01 -0.170084D+02 -0.943362D+01  0.159727D+02 -0.331459D+01
                86            87            88            89            90 
      1   0.329920D+02  0.660280D+01 -0.231365D+01 -0.681271D+01  0.472153D+01
      2  -0.651209D+02 -0.128301D+02 -0.157597D+01  0.747355D+01 -0.508796D+01
      3   0.321289D+02  0.622726D+01  0.388962D+01 -0.660847D+00  0.366435D+00
      4  -0.404745D+02 -0.207417D+01 -0.835069D+01 -0.177027D+01  0.107117D+02
      5  -0.226128D+01 -0.147588D+00 -0.445409D+01  0.222484D+01  0.286468D+01
      6  -0.252961D+02 -0.470807D+01  0.182310D+02 -0.117023D+02  0.862559D+00
                91            92            93            94            95 
      1   0.835333D+01 -0.200264D+02  0.151124D+01 -0.142382D+02  0.351212D+02
      2  -0.133732D+02  0.431752D+02 -0.833062D+01  0.250786D+02 -0.648199D+02
      3   0.501987D+01 -0.231488D+02  0.681938D+01 -0.108403D+02  0.296987D+02
      4  -0.722728D+00 -0.212700D+02  0.135115D+02 -0.134469D+02  0.380685D+02
      5   0.121507D+01  0.794394D+01 -0.529618D+01  0.338478D+01 -0.293877D+01
      6   0.167406D+02 -0.101347D+02 -0.152855D+02 -0.451542D+01  0.269178D+02
                96            97            98            99           100 
      1  -0.761389D+01  0.100511D-01  0.592342D+01  0.436036D+01 -0.101802D+02
      2   0.143183D+02 -0.404210D+01 -0.616437D+01 -0.496525D+01  0.140911D+02
      3  -0.670437D+01  0.403205D+01  0.240949D+00  0.604884D+00 -0.391088D+01
      4  -0.338131D+01  0.767879D+01 -0.314598D+01 -0.106439D+02  0.157693D+02
      5   0.484149D+00 -0.481799D+01 -0.221864D+01  0.352045D+01  0.303778D+01
      6  -0.569029D+01 -0.176435D+02 -0.117083D+02 -0.748847D+00 -0.122712D+02
               101           102           103           104           105 
      1   0.543635D+01 -0.306070D+01 -0.992020D+01 -0.396682D+02  0.935962D+01
      2   0.803109D+01  0.265412D+01  0.528143D+01  0.551420D+02  0.875477D+00
      3  -0.134674D+02  0.406581D+00  0.463877D+01 -0.154738D+02 -0.102351D+02
      4  -0.363579D+01 -0.156473D+02  0.454420D+01 -0.198555D+02  0.414049D+01
      5  -0.120870D+02 -0.319185D+00  0.604305D-01  0.480870D+01 -0.333020D+01
      6   0.498862D+01 -0.404487D+01  0.880709D+00 -0.229343D+02  0.100031D+02
               106           107           108           109           110 
      1  -0.143650D+01 -0.345660D+01 -0.997814D+01  0.199290D+02 -0.121819D+02
      2   0.350400D+00 -0.144244D+01  0.862407D+01 -0.148434D+02 -0.146870D+02
      3   0.108610D+01  0.489903D+01  0.135407D+01 -0.508559D+01  0.268689D+02
      4  -0.751972D+01  0.699234D+01  0.240900D+01 -0.367610D+02  0.193803D+02
      5  -0.104800D+01 -0.138469D+01  0.451937D+01  0.469445D+01  0.487717D+01
      6  -0.578534D+01  0.984003D+01 -0.520788D+00  0.775182D+01  0.725942D+01
               111           112           113           114           115 
      1  -0.281731D+01 -0.476263D+02  0.130417D+02  0.753293D+01 -0.340016D+02
      2  -0.402351D+00  0.681589D+01 -0.147266D+02 -0.742107D+00  0.442675D+01
      3   0.321966D+01  0.408104D+02  0.168485D+01 -0.679082D+01  0.295749D+02
      4   0.825059D+01  0.253886D+02 -0.191624D+02 -0.251371D+01  0.116090D+02
      5   0.509613D+01 -0.261865D+01 -0.316184D+01 -0.335387D+00  0.145919D+02
      6   0.217222D+01 -0.155730D+01  0.223635D+01  0.657090D+01 -0.258982D+01
               116           117           118           119           120 
      1  -0.315815D+01  0.504472D+01  0.696053D+02  0.157227D+02  0.134722D+02
      2   0.117861D+02  0.891433D+00 -0.401965D+02 -0.153624D+02 -0.191819D+02
      3  -0.862794D+01 -0.593616D+01 -0.294088D+02 -0.360282D+00  0.570973D+01
      4  -0.146368D+02 -0.107399D+02  0.268301D+02  0.129650D+02  0.620463D+01
      5  -0.673339D+01 -0.534458D+01  0.373309D+02  0.649592D+01  0.190153D+02
      6   0.425637D+01  0.189123D+01  0.627648D+01  0.665468D+01  0.682989D+01
               121           122           123           124           125 
      1   0.425329D+02  0.571901D+01 -0.117507D+02  0.262998D+02 -0.108984D+02
      2  -0.727504D+01  0.760957D+01  0.701961D+01 -0.391718D+01  0.915259D+01
      3  -0.352579D+02 -0.133286D+02  0.473112D+01 -0.223826D+02  0.174584D+01
      4   0.313469D+01  0.143896D+02  0.654994D+01 -0.185858D+02  0.522133D+01
      5  -0.915533D+01  0.709228D+01  0.251250D+00  0.371313D+01  0.266743D+01
      6   0.847339D+01  0.107302D+01 -0.120947D+01 -0.282420D+01  0.426586D+00
               126           127           128           129           130 
      1  -0.488838D+01 -0.366307D+01 -0.117993D+02 -0.282996D+02  0.183854D+01
      2  -0.249426D+01 -0.516775D+01  0.119990D+02 -0.111846D+02  0.479984D+01
      3   0.738264D+01  0.883082D+01 -0.199693D+00  0.394842D+02 -0.663838D+01
      4   0.605087D+01 -0.227485D+02 -0.874554D+00 -0.293863D+00  0.424278D+01
      5   0.589309D+01  0.182545D+01 -0.730846D+00  0.212919D+02  0.174947D+01
      6  -0.622881D+01  0.261925D+01  0.196215D+01 -0.887513D+01  0.284385D+00
               131           132           133           134           135 
      1  -0.227413D+01 -0.525583D+01  0.910513D+01  0.169493D+02 -0.600757D+01
      2   0.944026D+01 -0.228461D+01 -0.285450D+02 -0.104625D+02 -0.314209D+02
      3  -0.716613D+01  0.754044D+01  0.194399D+02 -0.648682D+01  0.374285D+02
      4  -0.237281D+01 -0.154856D+01  0.115774D+02  0.277738D+01 -0.152639D+01
      5  -0.100151D+01 -0.747195D+01  0.292204D+02 -0.497982D+00  0.362832D+02
      6  -0.408613D+01 -0.953544D+01  0.430527D+01 -0.497549D+01 -0.227068D+01
               136           137           138           139           140 
      1  -0.184416D+01  0.563295D+01  0.870471D+01  0.485887D+01  0.106597D+02
      2   0.608933D+01  0.155940D+01 -0.734574D+01 -0.105357D+01 -0.200023D+02
      3  -0.424517D+01 -0.719235D+01 -0.135897D+01 -0.380530D+01  0.934262D+01
      4   0.232573D+01  0.104471D+02  0.386525D+01  0.885296D+01 -0.335301D+01
      5   0.535777D+01  0.289471D+01  0.279021D+01 -0.893658D+00  0.143302D+01
      6   0.972917D+00 -0.126079D+01 -0.109828D+02  0.385326D+01 -0.538446D+01
               141           142           143           144           145 
      1   0.292059D+02 -0.134911D+01  0.244776D+02 -0.222695D+02 -0.219188D+02
      2   0.718306D+01 -0.538532D+01 -0.130728D+02 -0.152929D+02  0.417041D+00
      3  -0.363889D+02  0.673444D+01 -0.114049D+02  0.375624D+02  0.215018D+02
      4   0.433498D+00  0.685759D+01  0.776189D+01 -0.655102D+01  0.258789D+02
      5  -0.167733D+02 -0.890959D-01 -0.647044D+01  0.209141D+02  0.141486D+01
      6   0.172113D+02 -0.337477D+01  0.161688D+02 -0.198992D+02 -0.282773D+00
               146           147           148           149           150 
      1   0.470979D+01  0.110291D+02  0.123561D+02 -0.204980D+02  0.711243D+01
      2   0.179438D+02 -0.596604D+01  0.205487D+02 -0.138937D+02 -0.444579D+01
      3  -0.226536D+02 -0.506310D+01 -0.329049D+02  0.343917D+02 -0.266664D+01
      4  -0.333720D+02  0.650346D+01 -0.598850D+02  0.510732D+02 -0.414221D+00
      5   0.109795D+02  0.375797D+01  0.121495D+02 -0.213885D+01  0.360610D+01
      6  -0.633670D+01 -0.798381D+01 -0.149735D-01  0.896437D+00 -0.695349D+01
               151           152           153           154           155 
      1   0.155687D+02  0.196709D+02  0.158232D+02 -0.559508D+01  0.230278D+02
      2  -0.139562D+02 -0.198419D+01 -0.754340D+01  0.488110D+01 -0.212726D+02
      3  -0.161245D+01 -0.176867D+02 -0.827980D+01  0.713980D+00 -0.175524D+01
      4   0.177953D+02 -0.113765D+02  0.712251D+01  0.295385D+02 -0.227697D+01
      5   0.238255D+01  0.928693D+01  0.454815D+01  0.315109D+02 -0.345772D+02
      6  -0.365461D+01 -0.889501D+01 -0.964659D+01 -0.111384D+02  0.309047D+01
               156           157           158           159           160 
      1   0.205115D+02  0.292461D+02  0.568483D+01 -0.416484D+02  0.160283D+02
      2  -0.104866D+02 -0.244397D+02  0.234015D+01  0.191214D+02 -0.728574D+01
      3  -0.100250D+02 -0.480632D+01 -0.802498D+01  0.225270D+02 -0.874253D+01
      4  -0.341390D+02 -0.352511D+01 -0.209099D+01  0.188759D+02 -0.413097D+02
      5  -0.226669D+02 -0.479418D+02  0.159629D+02 -0.217912D+00 -0.227367D+02
      6   0.923141D+01  0.690675D+01 -0.143554D+01 -0.561284D+01  0.110972D+02
               161           162           163           164           165 
      1  -0.367510D+02 -0.145286D+02 -0.564152D+02 -0.331873D+02 -0.516522D+01
      2   0.147051D+02  0.110171D+02  0.239476D+02  0.158050D+02  0.491538D+01
      3   0.220459D+02  0.351147D+01  0.324676D+02  0.173823D+02  0.249844D+00
      4   0.169387D+02 -0.148210D+01 -0.372376D+02 -0.209106D+02  0.320782D+02
      5  -0.164618D+01  0.194464D+02 -0.447489D+01  0.315681D+02  0.213582D+01
      6  -0.431647D+01 -0.131862D+01  0.819060D+01  0.695084D+00  0.293372D+01
               166           167           168           169           170 
      1  -0.517394D+02 -0.321617D+02  0.445532D+02 -0.226227D+01  0.441747D+02
      2   0.234819D+02  0.157942D+02 -0.221196D+02  0.221393D+01 -0.237035D+02
      3   0.282575D+02  0.163675D+02 -0.224335D+02  0.483386D-01 -0.204712D+02
      4  -0.391113D+02  0.347395D+01 -0.106950D+02  0.492077D+02 -0.793127D+01
      5   0.480884D+02 -0.109255D+02  0.220059D+02 -0.116910D+02  0.203252D+02
      6  -0.320891D+01  0.469905D+01 -0.316532D+01  0.408991D+01 -0.331597D+01
               171           172           173           174           175 
      1  -0.682682D+01 -0.206233D+02  0.420962D+01  0.348146D+01 -0.114289D+01
      2   0.325058D+01  0.137442D+02  0.102211D+01 -0.195568D+01 -0.342149D+01
      3   0.357625D+01  0.687903D+01 -0.523172D+01 -0.152578D+01  0.456438D+01
      4   0.194681D+02 -0.173668D+01 -0.662652D+01 -0.204673D+02 -0.224321D+02
      5  -0.739501D+01 -0.918516D+01 -0.208437D+02 -0.226707D+02 -0.275453D+02
      6   0.499117D+01 -0.607278D+01 -0.702128D+01 -0.730171D+01 -0.871345D+01
               176           177           178           179           180 
      1  -0.452623D+01 -0.217750D+02  0.136273D+02 -0.168327D+02 -0.956012D+01
      2  -0.433149D+01  0.177628D+02  0.235675D+01  0.198751D+02  0.833983D+01
      3   0.885772D+01  0.401223D+01 -0.159841D+02 -0.304237D+01  0.122029D+01
      4  -0.261081D+02 -0.136130D+01 -0.215496D+02  0.278094D+01 -0.288197D+02
      5  -0.118465D+01 -0.189330D+02 -0.322950D+02 -0.304683D+02 -0.327188D+02
      6  -0.276422D+01 -0.739041D+01 -0.156032D+02 -0.104170D+02 -0.148851D+02
               181           182           183           184           185 
      1  -0.654896D+02  0.107130D+01 -0.136969D+02  0.208658D+01  0.141113D+02
      2   0.464601D+02 -0.380603D+00  0.326318D+02 -0.386238D+00 -0.186668D+02
      3   0.190295D+02 -0.690696D+00 -0.189348D+02 -0.170034D+01  0.455553D+01
      4   0.157443D+01 -0.171217D+02  0.671108D+00 -0.127535D+02 -0.174652D+01
      5  -0.366575D+02  0.562928D+00 -0.397225D+02 -0.627475D+00 -0.640680D+01
      6   0.212441D+00 -0.638417D+00 -0.830826D+00 -0.903770D+01  0.763181D-01
               186           187           188           189           190 
      1  -0.978009D-01 -0.251485D+02  0.662755D+00  0.180806D+02  0.304729D+02
      2  -0.909290D+00  0.392377D+02 -0.297851D+00  0.222833D+02 -0.121090D+02
      3   0.100709D+01 -0.140892D+02 -0.364904D+00 -0.403639D+02 -0.183640D+02
      4  -0.400174D+01  0.212445D+01 -0.132836D+02 -0.411365D+00 -0.244195D+02
      5  -0.136251D+01 -0.251749D+02  0.542219D+00 -0.346715D+02 -0.137915D+02
      6  -0.215400D+02 -0.299381D+00 -0.910442D+01  0.103482D+00  0.114515D+02
               191           192           193           194           195 
      1  -0.427194D+00 -0.102637D+01 -0.187727D+01 -0.501691D+02 -0.183141D+02
      2  -0.623556D+01  0.222461D+01 -0.101271D+02  0.798386D+02  0.164072D+02
      3   0.666275D+01 -0.119823D+01  0.120044D+02 -0.296694D+02  0.190687D+01
      4   0.272631D+02  0.115126D+02  0.262944D+02 -0.295464D+02 -0.113374D+02
      5   0.112948D+02  0.204147D+02  0.354560D+01 -0.127720D+02 -0.716128D+01
      6  -0.546668D+01 -0.862134D+01 -0.925620D+01  0.351252D+02  0.327903D+02
               196           197           198           199           200 
      1   0.437968D+00 -0.197095D+02 -0.260667D+02  0.333281D+02 -0.103669D+01
      2   0.472619D+01  0.922831D+01 -0.234332D+01 -0.166020D+02  0.741629D+01
      3  -0.516416D+01  0.104812D+02  0.284100D+02 -0.167261D+02 -0.637961D+01
      4   0.813608D+01 -0.707666D+01 -0.136781D+02  0.221745D+02  0.246189D+02
      5   0.208019D+02 -0.133512D+02 -0.188818D+02 -0.168422D+02 -0.103961D+02
      6  -0.132717D+02  0.349308D+02  0.369743D+02 -0.106615D+02 -0.617712D+01
               201           202           203           204           205 
      1  -0.107985D+01 -0.242685D+01 -0.425396D+02  0.189146D+02  0.157284D+01
      2   0.408295D+01  0.113921D+02  0.651011D+02 -0.158332D+02  0.622185D+01
      3  -0.300310D+01 -0.896527D+01 -0.225614D+02 -0.308139D+01 -0.779469D+01
      4  -0.110749D+02  0.257638D+02  0.298213D+02 -0.136511D+02 -0.796900D+01
      5   0.244610D+02 -0.413582D+01 -0.149270D+02  0.880733D+01  0.246323D+02
      6   0.918388D+01 -0.113372D+02 -0.358916D+02  0.330396D+02  0.143242D+02
               206           207           208           209           210 
      1   0.213508D+02 -0.277164D+02 -0.790024D+01  0.635401D+01  0.187839D+02
      2  -0.977718D+01 -0.867333D+01 -0.779521D+01  0.136357D+01  0.100942D+02
      3  -0.115736D+02  0.363897D+02  0.156954D+02 -0.771758D+01 -0.288781D+02
      4  -0.844744D+01  0.146282D+02 -0.356096D+01  0.176226D+01  0.317818D+01
      5   0.141149D+02 -0.252293D+02 -0.105307D+02  0.307348D+01  0.112396D+02
      6   0.330439D+02 -0.386405D+02  0.842028D+01 -0.716514D+01 -0.139732D+02
               211           212           213           214           215 
      1   0.291062D+01 -0.342742D+01 -0.759382D+00  0.986319D+01 -0.219505D+01
      2  -0.104373D+01  0.481555D+00  0.279470D+01  0.481832D+01 -0.804635D+00
      3  -0.186688D+01  0.294587D+01 -0.203532D+01 -0.146815D+02  0.299968D+01
      4   0.122215D+01 -0.201628D+01 -0.127656D+01  0.143997D+01 -0.197115D+01
      5   0.260360D+01 -0.253314D+01 -0.362619D+01  0.825180D+01 -0.258541D+01
      6  -0.407698D+01  0.441052D+01  0.490813D+01 -0.521867D+01  0.458493D+01
               216           217           218           219           220 
      1  -0.167078D+02  0.378524D+00 -0.182686D+01  0.472315D+01  0.183411D+01
      2  -0.112180D+02 -0.305832D-01 -0.998632D+00  0.379234D+01  0.285270D+01
      3   0.279257D+02 -0.347941D+00  0.282550D+01 -0.851548D+01 -0.468681D+01
      4  -0.260087D+01 -0.214938D+01  0.171735D+01 -0.163470D+01  0.521982D+01
      5  -0.117173D+02  0.718774D+00 -0.256507D+01  0.106733D+01 -0.811893D+01
      6   0.755699D+01 -0.275701D+01  0.104267D+01  0.831893D+00  0.627015D+01
               221           222           223           224           225 
      1  -0.158530D+02  0.189743D+02  0.319734D+00  0.122107D+02 -0.208094D+02
      2   0.282860D+00  0.574146D+01 -0.563297D+00  0.248911D+01 -0.621118D+01
      3   0.155701D+02 -0.247157D+02  0.243563D+00 -0.146998D+02  0.270206D+02
      4  -0.106468D+02  0.108806D+02 -0.259097D+01  0.426179D+01 -0.608661D+01
      5   0.124077D+02 -0.168059D+02  0.285511D+01 -0.744088D+01  0.106091D+02
      6  -0.225728D+02  0.255891D+02 -0.235082D+01  0.158130D+02 -0.210028D+02
               226           227           228           229           230 
      1  -0.334441D+00  0.675394D+00 -0.715336D+01 -0.113186D+02 -0.569839D+01
      2  -0.222826D+01 -0.812993D+00  0.150331D+01  0.830571D+01  0.610459D+01
      3   0.256271D+01  0.137598D+00  0.565006D+01  0.301285D+01 -0.406203D+00
      4  -0.348897D+01 -0.119113D+01 -0.294046D+00 -0.638500D+00  0.510110D+01
      5  -0.226043D+01  0.185953D+01 -0.954425D+00  0.122048D+01 -0.325965D+01
      6  -0.671532D-01  0.105083D+01 -0.318060D+01 -0.488536D+00 -0.298343D+01
               231           232           233           234           235 
      1   0.126010D+01 -0.200800D+02  0.434733D+00 -0.138143D+02  0.509225D+00
      2  -0.507167D+01  0.107940D+02  0.101070D+00 -0.113992D+02  0.616461D+01
      3   0.381157D+01  0.928602D+01 -0.535803D+00  0.252135D+02 -0.667383D+01
      4  -0.416986D+01 -0.106993D+02 -0.649283D+01  0.397155D+01  0.861528D+01
      5  -0.335359D+01  0.118163D+02  0.602552D+01 -0.293672D+02 -0.137659D+00
      6   0.177110D+01  0.223104D+01  0.673816D+01 -0.160025D+02  0.277514D+00
               236           237           238           239           240 
      1   0.449345D+01  0.100846D+01  0.937301D+01 -0.249854D+02  0.880605D+00
      2   0.632912D+00 -0.992960D+00  0.585121D+01  0.537440D+02 -0.491682D+01
      3  -0.512636D+01 -0.155008D-01 -0.152242D+02 -0.287586D+02  0.403622D+01
      4   0.130482D+02 -0.469691D+00  0.238489D+02  0.596421D+02 -0.884247D+01
      5  -0.768455D+00 -0.419387D+00 -0.620208D+01 -0.516318D+01  0.467343D+01
      6  -0.130670D+01 -0.316085D+00 -0.461665D+01 -0.126571D+02  0.690280D+01
               241           242           243           244           245 
      1   0.118890D+01  0.170928D+00 -0.540285D+01  0.564108D+02  0.192184D+02
      2  -0.511711D+00  0.188084D+01  0.365107D+01 -0.331670D+02 -0.990908D+01
      3  -0.677190D+00 -0.205177D+01  0.175178D+01 -0.232438D+02 -0.930931D+01
      4   0.216431D+00  0.708686D+00  0.556995D+01  0.315706D+02  0.180218D+02
      5   0.171794D+01  0.601237D+01 -0.232521D+01 -0.435924D+02 -0.132903D+02
      6   0.141327D+01  0.765307D+01 -0.234655D+01 -0.100647D+02 -0.488858D+01
               246           247           248           249           250 
      1  -0.288642D+02  0.193607D+02  0.111831D+02 -0.652129D+01 -0.471582D+02
      2   0.194174D+02 -0.826618D+01 -0.494218D+01  0.295492D+01  0.337831D+02
      3   0.944672D+01 -0.110946D+02 -0.624092D+01  0.356637D+01  0.133751D+02
      4  -0.154639D+02  0.250679D+02  0.155778D+02 -0.161541D+02 -0.279278D+02
      5   0.331926D+02 -0.152605D+02 -0.154998D+02  0.153200D+02  0.596346D+02
      6   0.758970D+01 -0.801334D+01 -0.692551D+01  0.927995D+01  0.151517D+02
               251           252           253           254           255 
      1  -0.116298D+02  0.321595D+02  0.450697D+02  0.182408D+02  0.179479D+02
      2   0.788166D+01 -0.287095D+02 -0.203814D+02 -0.711229D+01 -0.805511D+01
      3   0.374816D+01 -0.345006D+01 -0.246883D+02 -0.111285D+02 -0.989277D+01
      4  -0.207155D+02  0.279185D+02  0.277255D+02  0.175647D+02  0.968374D+01
      5   0.245788D+02 -0.547556D+02  0.205435D+02  0.695236D+01  0.187407D+02
      6   0.103782D+02 -0.150957D+02  0.495744D+01  0.211461D+01  0.460827D+01
               256           257           258           259           260 
      1   0.233401D+02  0.125721D+02  0.481883D+01  0.420997D+02  0.129184D+02
      2  -0.773660D+01 -0.139519D+01  0.850239D+00 -0.186143D+02 -0.289741D+01
      3  -0.156035D+02 -0.111769D+02 -0.566907D+01 -0.234854D+02 -0.100209D+02
      4   0.252259D+02  0.189421D+02  0.130240D+02  0.252053D+02  0.229733D+02
      5   0.794345D+01  0.116565D+02  0.115655D+02  0.343470D+02  0.190753D+02
      6   0.399843D+01  0.515293D+01  0.606402D+01  0.101960D+02  0.648657D+01
               261           262           263           264           265 
      1   0.249526D+02 -0.164635D+02 -0.119675D+02 -0.989924D+01 -0.159104D+02
      2  -0.122621D+02  0.886111D+01  0.507109D+01  0.328039D+01  0.831157D+01
      3  -0.126904D+02  0.760238D+01  0.689638D+01  0.661885D+01  0.759886D+01
      4   0.224921D+02 -0.825440D+01 -0.248508D+01 -0.222023D+00  0.456901D+01
      5   0.313515D+02 -0.605178D+01 -0.500760D+00 -0.933221D+01  0.240310D+01
      6   0.906646D+01  0.426661D+01  0.891119D+00  0.294194D+01  0.151180D+01
               266           267           268           269           270 
      1  -0.377595D+01 -0.216891D+01 -0.152992D+02 -0.714579D+01 -0.148929D+02
      2   0.215834D+01  0.130572D+01  0.667656D+01  0.171778D+01 -0.203208D+01
      3   0.161761D+01  0.863194D+00  0.862264D+01  0.542800D+01  0.169249D+02
      4  -0.592594D+01 -0.705673D+01  0.735511D+00 -0.132133D+02 -0.114844D+02
      5  -0.698436D+01 -0.960376D+01  0.108550D+01 -0.125839D+02 -0.289142D+02
      6   0.444568D+01  0.683139D+01  0.635432D+00  0.754862D+01  0.106134D+02
               271           272           273           274           275 
      1   0.144296D+03 -0.432640D+02 -0.158936D+02 -0.406772D+02  0.264219D+02
      2  -0.698172D+02  0.186272D+02  0.880029D+01  0.151202D+02 -0.852723D+01
      3  -0.744784D+02  0.246368D+02  0.709329D+01  0.255570D+02 -0.178947D+02
      4  -0.591350D+02  0.323633D+02  0.617550D+01  0.390030D+02 -0.235902D+02
      5  -0.234050D+02  0.658110D+01  0.123173D+02  0.798869D+01 -0.485924D+01
      6   0.759624D+01 -0.407835D+01 -0.285530D+01 -0.464197D+01  0.288786D+01
               276           277           278           279           280 
      1   0.452322D+01 -0.416693D+01  0.101620D+01  0.113502D+02  0.691741D+02
      2  -0.228080D+01  0.312823D+01 -0.143479D+01 -0.663346D+01 -0.446564D+02
      3  -0.224242D+01  0.103870D+01  0.418582D+00 -0.471675D+01 -0.245177D+02
      4  -0.453714D+01  0.271648D+01 -0.169544D+01 -0.856682D+01 -0.189622D+02
      5  -0.656190D+01  0.171539D+02 -0.870920D+01 -0.450163D+01  0.533546D+02
      6   0.295243D+01 -0.385604D+01  0.298461D+01  0.194367D+01 -0.988936D+01
               281           282           283           284           285 
      1  -0.841119D+01  0.288954D+02  0.625869D+01  0.470519D+01  0.679968D-01
      2   0.497623D+01 -0.212990D+02 -0.681071D+01 -0.834093D+00 -0.281898D+01
      3   0.343496D+01 -0.759639D+01  0.552023D+00 -0.387110D+01  0.275098D+01
      4   0.102458D+02 -0.109711D+02  0.127916D+02 -0.791164D+01  0.775085D+01
      5  -0.103499D+02  0.397048D+02  0.184940D+00  0.889351D+01  0.294552D+01
      6   0.439799D+01 -0.833797D+01  0.435932D+01 -0.227341D+01  0.423894D+01
               286           287           288           289           290 
      1   0.475550D+02 -0.110393D+02  0.255257D+02 -0.163683D+01 -0.925383D+01
      2  -0.366928D+02  0.737993D+01 -0.283726D+02  0.264439D+01  0.640285D+01
      3  -0.108622D+02  0.365937D+01  0.284687D+01 -0.100756D+01  0.285098D+01
      4  -0.222213D+02  0.105681D+02 -0.130359D+02 -0.646122D+01  0.101756D+01
      5   0.591047D+02 -0.131178D+02  0.538581D+02  0.322322D+01  0.504555D-01
      6  -0.139089D+02  0.736046D+01 -0.118720D+02  0.150933D+00 -0.276739D+01
               291           292           293           294           295 
      1   0.314286D+01 -0.150190D+02 -0.152271D+02  0.212466D+01  0.114884D+01
      2  -0.200606D+01 -0.405494D+00  0.358920D+02 -0.337415D+01 -0.256343D+01
      3  -0.113680D+01  0.154245D+02 -0.206649D+02  0.124949D+01  0.141459D+01
      4   0.355981D+00  0.213407D+02 -0.552142D+02  0.737444D+01 -0.248868D+01
      5   0.344826D+01 -0.397478D+01  0.978077D+01 -0.750905D+01  0.109020D+02
      6  -0.900414D-02  0.388596D+01 -0.123802D+02  0.670963D+01 -0.207287D+01
               296           297           298           299           300 
      1  -0.223750D+00  0.323632D+01 -0.545993D+01 -0.237483D+02 -0.470715D+01
      2   0.171291D+01 -0.102390D+01  0.186166D+02  0.495905D+02  0.736197D+01
      3  -0.148916D+01 -0.221242D+01 -0.131567D+02 -0.258422D+02 -0.265482D+01
      4  -0.142311D+01 -0.525567D+01  0.226829D+02  0.352324D+02  0.795803D+01
      5  -0.547628D+01  0.294315D+01  0.492420D+01  0.546008D+01  0.488672D+01
      6   0.506890D+01 -0.239898D+01  0.973038D+01  0.164489D+02  0.636316D+01
               301           302           303           304           305 
      1  -0.122113D+02 -0.489344D+02 -0.861276D+01 -0.134007D+01 -0.368214D+01
      2   0.255840D+02  0.922201D+02  0.141358D+02  0.199200D+01  0.278979D+01
      3  -0.133727D+02 -0.432857D+02 -0.552301D+01 -0.651930D+00  0.892349D+00
      4   0.208961D+02  0.403421D+02  0.667426D+01  0.371868D+01  0.466881D+01
      5   0.323897D+01  0.554064D+01  0.225016D+01  0.430215D+01  0.382515D+01
      6   0.809924D+01  0.268038D+02  0.123748D+02  0.397736D+01  0.170097D+02
               306           307           308           309           310 
      1  -0.738539D+01 -0.330344D+00  0.785850D+01  0.495444D+01  0.300262D+01
      2   0.981164D+01  0.254567D+01 -0.845513D+01 -0.364272D+01 -0.351841D+01
      3  -0.242625D+01 -0.221533D+01  0.596626D+00 -0.131172D+01  0.515792D+00
      4   0.531438D+01 -0.148359D+02  0.114452D+02  0.959651D+01  0.659734D+01
      5   0.291175D+01 -0.768086D+01  0.494797D+01  0.592839D+01  0.162326D+01
      6   0.662135D+01  0.136967D+02 -0.109506D+02 -0.156656D+02 -0.480399D+01
               311           312           313           314           315 
      1  -0.823940D+01 -0.583861D+01  0.467216D+01 -0.111902D+02 -0.103987D+02
      2   0.124528D+02  0.832119D+01 -0.179984D+01  0.112383D+02  0.324835D+01
      3  -0.421338D+01 -0.248258D+01 -0.287232D+01 -0.481646D-01  0.715039D+01
      4  -0.485241D+01 -0.308921D+01  0.939554D+01 -0.475332D+01 -0.858082D+01
      5  -0.239821D+01 -0.206753D+01  0.602465D+01 -0.349662D+01 -0.591533D+01
      6   0.120761D+02  0.942690D+01 -0.123932D+02  0.161550D+02  0.212308D+02
               316           317           318           319           320 
      1  -0.156935D+00 -0.696961D+01  0.488393D+01 -0.238318D+01 -0.758746D+01
      2   0.212618D+01  0.726145D+01 -0.300425D+01  0.288169D+01  0.112801D+02
      3  -0.196924D+01 -0.291839D+00 -0.187968D+01 -0.498507D+00 -0.369268D+01
      4   0.149761D+02  0.111910D+02 -0.100988D+02  0.605641D+01  0.460688D+01
      5  -0.823756D+01 -0.531410D+01  0.671228D+01 -0.162287D+01 -0.243728D+01
      6  -0.139127D+02 -0.108322D+02  0.161878D+02 -0.449809D+01 -0.112600D+02
               321           322           323           324           325 
      1   0.542377D+01  0.473407D+01  0.103801D+02 -0.100184D+02 -0.550093D+01
      2  -0.785018D+01 -0.172689D+01 -0.101034D+02  0.243177D+01  0.173250D+02
      3   0.242641D+01 -0.300718D+01 -0.276681D+00  0.758663D+01 -0.118241D+02
      4  -0.301286D+01 -0.934003D+01 -0.507807D+01  0.887951D+01 -0.209821D+02
      5   0.202068D+01  0.648430D+01  0.385856D+01 -0.677335D+01  0.497475D+01
      6   0.884750D+01  0.124172D+02  0.156651D+02 -0.211490D+02 -0.985880D+01
               326           327           328           329           330 
      1   0.244802D+02 -0.523809D+01  0.117444D+02 -0.503063D+02  0.940613D+01
      2  -0.489381D+02  0.795522D+01 -0.237206D+02  0.921788D+02 -0.152347D+02
      3   0.244579D+02 -0.271713D+01  0.119762D+02 -0.418725D+02  0.582853D+01
      4   0.335492D+02 -0.824263D+01  0.194154D+02 -0.375353D+02  0.692713D+01
      5  -0.573586D+01  0.493657D+01 -0.347976D+01  0.565083D+01 -0.229600D+01
      6   0.173099D+02 -0.681738D+01  0.825587D+01 -0.286259D+02  0.130861D+02
               331           332           333           334           335 
      1  -0.172681D+01  0.493678D+01 -0.784344D+01 -0.753070D+01 -0.573596D+01
      2   0.249168D+01 -0.436913D+01  0.999850D+01 -0.808534D+01 -0.100548D+01
      3  -0.764878D+00 -0.567644D+00 -0.215506D+01  0.156160D+02  0.674144D+01
      4  -0.385350D+01  0.527614D+01 -0.515799D+01  0.399289D+01  0.210403D+01
      5   0.420916D+01 -0.376000D+01  0.294788D+01 -0.124495D+02 -0.327648D+01
      6  -0.395223D+01  0.174983D+02 -0.747330D+01 -0.821995D+01 -0.656276D+01
               336           337           338           339           340 
      1   0.174718D+02 -0.227857D+01 -0.261229D+01 -0.929155D-01  0.909188D+01
      2   0.104558D+02  0.122851D+01  0.107127D+00 -0.322643D+01  0.536587D+01
      3  -0.279275D+02  0.105006D+01  0.250516D+01  0.331935D+01 -0.144577D+02
      4  -0.340865D+01  0.174662D+01  0.202869D+01 -0.143316D+01 -0.186378D+01
      5   0.128184D+02 -0.218796D+01 -0.275744D+01  0.299851D+01  0.901544D+01
      6   0.127813D+02 -0.397650D+01 -0.381483D+01  0.424083D+01  0.488729D+01
               341           342           343           344           345 
      1   0.132889D+01 -0.146388D+02 -0.668526D+00  0.198881D+01  0.500135D+01
      2   0.788345D+00 -0.105314D+02  0.136914D+00  0.113679D+01  0.370308D+01
      3  -0.211724D+01  0.251702D+02  0.531612D+00 -0.312560D+01 -0.870444D+01
      4  -0.194878D+01  0.270665D+01  0.258746D+01  0.177562D+01  0.200012D+01
      5   0.259728D+01 -0.123246D+02  0.114700D+01  0.313505D+01  0.164313D+01
      6   0.408981D+01 -0.595990D+01  0.346388D+01  0.964302D+00 -0.899092D+00
               346           347           348           349           350 
      1  -0.114920D+01 -0.165138D+02 -0.197867D+02  0.292129D+00 -0.124705D+02
      2  -0.300926D+01  0.574580D+00 -0.556286D+01 -0.270786D+00 -0.192638D+01
      3   0.415846D+01  0.159392D+02  0.253496D+02 -0.213433D-01  0.143969D+02
      4   0.449123D+01  0.998842D+01  0.100658D+02  0.295137D+01  0.367062D+01
      5   0.761626D+01  0.113280D+02  0.159525D+02  0.258113D+01  0.706682D+01
      6   0.547490D+01  0.226359D+02  0.256520D+02  0.245475D+01  0.160350D+02
               351           352           353           354           355 
      1  -0.206835D+02  0.292513D+02 -0.137970D+02 -0.720415D+00 -0.189581D+02
      2  -0.524451D+01 -0.171398D+00 -0.840074D+01  0.165314D+01 -0.145154D+02
      3   0.259280D+02 -0.290799D+02  0.221977D+02 -0.932728D+00  0.334735D+02
      4   0.574286D+01 -0.391440D+02  0.370692D+02 -0.308365D+01  0.551081D+02
      5   0.877138D+01  0.508748D+00 -0.447640D+01  0.491893D+01  0.107614D+01
      6   0.208729D+02 -0.223507D+01  0.791981D+00 -0.896558D+00 -0.777685D+00
               356           357           358           359           360 
      1   0.517016D+01  0.292316D+01  0.907451D+01 -0.364104D+01 -0.307120D+01
      2   0.347574D+02 -0.323519D+01  0.217506D+01 -0.884966D+01  0.377622D+01
      3  -0.399275D+02  0.312027D+00 -0.112496D+02  0.124907D+02 -0.705016D+00
      4  -0.685631D+02  0.933536D+00 -0.186711D+02  0.198663D+02 -0.889709D+01
      5   0.430075D+01 -0.726566D+01  0.612849D+01 -0.960422D+01  0.481516D+01
      6  -0.108912D+01  0.632509D+01 -0.397611D+01  0.902497D+01 -0.274044D+01
               361           362           363           364           365 
      1  -0.136628D+02 -0.760421D+01 -0.833437D+01 -0.695663D+01 -0.691144D+01
      2   0.881745D+01  0.369823D+01  0.437211D+01  0.897319D+00  0.970278D+01
      3   0.484534D+01  0.390598D+01  0.396225D+01  0.605931D+01 -0.279134D+01
      4   0.178697D+01  0.253589D+01 -0.121415D+01  0.105325D+02 -0.125151D+02
      5  -0.374891D+00 -0.279068D+01 -0.188905D+01  0.626594D+00 -0.517118D+01
      6   0.274996D+01  0.433629D+01  0.561821D+01  0.924345D+00  0.850735D+01
               366           367           368           369           370 
      1  -0.734920D+01 -0.140123D+02 -0.142330D+02 -0.165842D+02  0.707687D+02
      2   0.566139D+01  0.933463D+01  0.668962D+01  0.255285D+01 -0.414915D+02
      3   0.168781D+01  0.467764D+01  0.754333D+01  0.140313D+02 -0.292772D+02
      4  -0.546636D+01  0.382366D+00 -0.594854D+01 -0.907396D+01 -0.366949D+02
      5  -0.509445D+01  0.493666D+01 -0.103501D+02 -0.172620D+02 -0.526169D+02
      6   0.905578D+01  0.253267D+00  0.135466D+02  0.186940D+02  0.121299D+02
               371           372           373           374           375 
      1  -0.209865D+02 -0.316119D+02 -0.283346D+02  0.133125D+02  0.146305D+02
      2   0.116732D+02  0.222144D+02  0.151706D+02 -0.560076D+01 -0.935132D+01
      3   0.931331D+01  0.939740D+01  0.131641D+02 -0.771171D+01 -0.527919D+01
      4   0.204909D+02  0.218922D+02  0.299979D+02 -0.241001D+02 -0.206008D+02
      5   0.207528D+02  0.378886D+02  0.282364D+02 -0.199309D+02 -0.202314D+02
      6  -0.639358D+01 -0.808241D+01 -0.109725D+02  0.906170D+01  0.103867D+02
               376           377           378           379           380 
      1  -0.279511D+02  0.994853D+01  0.216328D+02 -0.170567D+02  0.572675D+01
      2   0.226152D+02 -0.762283D+01 -0.207328D+02  0.734014D+01  0.406739D+00
      3   0.533586D+01 -0.232570D+01 -0.900045D+00  0.971654D+01 -0.613349D+01
      4   0.208915D+02 -0.135549D+02 -0.184982D+02  0.566667D+01 -0.435934D+01
      5   0.436292D+02 -0.169993D+02 -0.407432D+02 -0.470535D+01  0.300991D+01
      6  -0.106942D+02  0.825589D+01  0.104760D+02 -0.253319D+01  0.697589D+00
               381           382           383           384           385 
      1  -0.815841D+01  0.159008D+02 -0.883461D+01  0.104332D+02 -0.117651D+02
      2   0.120231D+01 -0.773616D+01  0.177574D+01  0.111832D+00  0.551761D+01
      3   0.695610D+01 -0.816460D+01  0.705888D+01 -0.105450D+02  0.624746D+01
      4   0.405858D+01 -0.198614D+01  0.140593D+02 -0.104123D+02  0.389131D+01
      5  -0.111817D+01  0.278801D+01 -0.918707D+01  0.159624D+02  0.667483D+01
      6  -0.868604D+00  0.928411D+00 -0.643506D+01  0.541892D+01 -0.220087D+01
               386           387           388           389           390 
      1   0.816810D+01 -0.792125D+01  0.124288D+03  0.394428D+02 -0.128634D+02
      2   0.473541D+00 -0.760515D+01 -0.590810D+02 -0.169927D+02  0.646416D+01
      3  -0.864164D+01  0.155264D+02 -0.652069D+02 -0.224501D+02  0.639925D+01
      4  -0.862888D+01  0.775870D+01  0.484510D+02  0.275902D+02 -0.798056D+01
      5   0.776257D+01 -0.239479D+02 -0.148575D+02 -0.724890D+01  0.127123D+02
      6   0.577742D+01 -0.451425D+01 -0.487139D+01 -0.158248D+01  0.158628D+01
               391           392           393           394           395 
      1   0.641662D+02  0.332312D+02 -0.100396D+02 -0.322945D+02 -0.139123D+02
      2  -0.269578D+02 -0.115749D+02  0.446911D+01  0.159088D+02  0.665158D+01
      3  -0.372084D+02 -0.216563D+02  0.557047D+01  0.163857D+02  0.726069D+01
      4   0.460506D+02  0.318283D+02 -0.433661D+01 -0.174043D+02 -0.758578D+01
      5  -0.119718D+02 -0.386124D+01  0.621271D+01  0.229319D+02  0.671283D+01
      6  -0.304670D+01 -0.276792D+01  0.303938D+01  0.426196D+01  0.370146D+01
               396           397           398           399           400 
      1   0.161525D+02  0.502699D+02 -0.123232D+02  0.179400D+02 -0.335749D+02
      2  -0.879642D+01 -0.262097D+02  0.607345D+01 -0.105402D+02  0.161891D+02
      3  -0.735611D+01 -0.240602D+02  0.624972D+01 -0.739981D+01  0.173858D+02
      4   0.687295D+01 -0.168403D+02  0.148075D+02 -0.105872D+02  0.317940D+02
      5  -0.100379D+02  0.233618D+02 -0.108356D+02  0.152764D+02 -0.244472D+02
      6  -0.244492D+01 -0.490390D+01  0.257100D+01 -0.285101D+01  0.644492D+01
               401           402           403           404           405 
      1   0.208143D+02 -0.176240D+02  0.359666D+02 -0.147358D+02  0.185348D+02
      2  -0.855934D+01  0.899163D+01 -0.222228D+02  0.938692D+01 -0.145061D+02
      3  -0.122550D+02  0.863239D+01 -0.137438D+02  0.534890D+01 -0.402873D+01
      4  -0.289911D+02  0.169082D+02 -0.200789D+02  0.154569D+02 -0.169383D+02
      5   0.170597D+02 -0.226301D+02  0.308492D+02 -0.169692D+02  0.331331D+02
      6  -0.662509D+01  0.642721D+01 -0.614808D+01  0.581358D+01 -0.638280D+01
               406           407           408           409           410 
      1  -0.154196D+01  0.476285D+01 -0.454076D+01  0.191618D+02 -0.488671D+01
      2   0.295242D+01 -0.282719D+01  0.309560D+01 -0.375107D+01  0.212796D+02
      3  -0.141046D+01 -0.193566D+01  0.144515D+01 -0.154107D+02 -0.163929D+02
      4   0.488351D+01  0.412420D+01 -0.112578D+01  0.212932D+02  0.385229D+02
      5  -0.488030D+01  0.339784D+00  0.202613D+01  0.510383D+01 -0.322884D+01
      6  -0.359432D+01 -0.120157D+01  0.102802D+01  0.280228D+01  0.176689D+00
               411           412           413           414           415 
      1   0.589686D+01 -0.246317D+02  0.390804D+01 -0.143142D+01  0.239808D+02
      2  -0.622239D+01  0.938376D+01 -0.977027D+01  0.315974D+01 -0.168012D+02
      3   0.325528D+00  0.152479D+02  0.586223D+01 -0.172833D+01 -0.717962D+01
      4  -0.359584D+01 -0.375078D+01 -0.143977D+02  0.938087D+01  0.175842D+02
      5   0.800635D+01  0.421958D+01  0.995759D+01 -0.402089D+01  0.282312D+02
      6   0.546952D+01  0.187735D+01  0.419451D+01 -0.130120D+01  0.959734D+01
               416           417           418           419           420 
      1   0.673413D+01  0.131874D+02  0.863974D+01  0.336658D+01  0.339731D+01
      2  -0.376984D+01 -0.940488D+01 -0.279208D+01  0.820468D-01 -0.190191D+01
      3  -0.296429D+01 -0.378250D+01 -0.584767D+01 -0.344862D+01 -0.149539D+01
      4   0.138342D+02  0.156431D+02  0.208052D+02  0.224833D+02  0.174670D+02
      5   0.157168D+02  0.255099D+02  0.168805D+02  0.184622D+02  0.173452D+02
      6   0.614279D+01  0.769819D+01  0.997561D+01  0.112965D+02  0.130925D+02
               421           422           423 
      1   0.237334D+02  0.551611D+01  0.573794D+01
      2  -0.197266D+02 -0.709115D+01 -0.166563D+02
      3  -0.400680D+01  0.157503D+01  0.109183D+02
      4   0.264483D+02  0.216609D+02  0.297769D+02
      5   0.426577D+02  0.309232D+02  0.555292D+02
      6   0.174876D+02  0.172269D+02  0.226947D+02
 Leave Link  716 at Fri Jul  9 05:58:03 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.345503D+03 -0.485510D+00 -0.386161D+01
      2  -0.485510D+00  0.275048D+03  0.424123D+00
      3  -0.386161D+01  0.424123D+00  0.255353D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.397026D+01 -0.122603D+01 -0.556438D+02
      2  -0.372699D+00 -0.162776D+02 -0.199103D+01
      3   0.884615D+02 -0.456375D+01  0.186680D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.535013D+01 -0.102025D+03 -0.866001D+01
      2   0.869119D+01  0.198610D+03 -0.170183D-01
      3  -0.334106D+01 -0.965847D+02  0.867703D+01
      4   0.246345D+02  0.158826D+02 -0.314153D+02
      5  -0.150267D+02 -0.271482D+02 -0.888330D+01
      6  -0.520444D+01 -0.119712D+02  0.520123D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.525535D+01  0.653605D+00  0.106436D+01  0.591777D+00 -0.195190D+01
      2   0.653605D+00 -0.728294D+00  0.629392D-01 -0.195190D+01 -0.665996D+01
      3   0.106436D+01  0.629392D-01  0.134928D+01  0.671401D+00  0.872622D+00
                 6             7             8             9            10 
      1   0.671401D+00  0.476400D+01  0.145830D+01 -0.611990D+00  0.127447D+02
      2   0.872622D+00  0.145830D+01  0.117129D+01 -0.765084D+00  0.387484D+01
      3   0.640990D+00 -0.611990D+00 -0.765084D+00  0.428806D+01 -0.856041D+00
                11            12            13            14            15 
      1   0.387484D+01 -0.856041D+00  0.113385D+02  0.407186D+01 -0.370912D+01
      2   0.563634D+01 -0.198065D+01  0.407186D+01  0.692635D+00 -0.326504D-01
      3  -0.198065D+01  0.158603D+01 -0.370912D+01 -0.326504D-01  0.259951D+01
                16            17            18            19            20 
      1  -0.728071D+01  0.431100D-01  0.342344D+01  0.148150D+02 -0.325422D+01
      2   0.431100D-01 -0.346439D+01  0.154877D+01 -0.325422D+01  0.295305D+01
      3   0.342344D+01  0.154877D+01 -0.208951D+01  0.549530D+01 -0.149725D+01
                21            22            23            24            25 
      1   0.549530D+01 -0.115677D+02  0.377671D+00  0.383702D+01  0.393249D+01
      2  -0.149725D+01  0.377671D+00 -0.100917D+01 -0.328965D-01  0.291410D+01
      3   0.327084D+01  0.383702D+01 -0.328965D-01 -0.106618D+01 -0.259168D+01
                26            27            28            29            30 
      1   0.291410D+01 -0.259168D+01 -0.804676D+01  0.108863D+01 -0.392560D+01
      2  -0.259091D+01 -0.173832D+00  0.108863D+01  0.498676D+00  0.122083D+01
      3  -0.173832D+00  0.373630D+00 -0.392560D+01  0.122083D+01 -0.341128D+01
                31            32            33            34            35 
      1   0.273682D+01 -0.180446D+01  0.645601D+00 -0.590108D+01  0.137848D+01
      2  -0.180446D+01  0.557224D+01 -0.616078D+00  0.137848D+01  0.857218D+00
      3   0.645601D+00 -0.616078D+00 -0.425929D+00 -0.558906D+01 -0.365593D+00
                36            37            38            39            40 
      1  -0.558906D+01 -0.730020D+01  0.506413D+01  0.115809D+01  0.582704D+01
      2  -0.365593D+00  0.506413D+01 -0.952598D+00 -0.231665D+00 -0.112556D+01
      3  -0.197930D+01  0.115809D+01 -0.231665D+00  0.288376D+01 -0.608353D-01
                41            42            43            44            45 
      1  -0.112556D+01 -0.608353D-01  0.677810D-01 -0.222206D-01  0.355886D+01
      2  -0.193309D+01  0.906928D+00 -0.222206D-01  0.773275D+00  0.204380D+01
      3   0.906928D+00  0.190280D+01  0.355886D+01  0.204380D+01  0.628199D+00
                46            47            48            49            50 
      1   0.204530D+01 -0.366702D+01  0.543196D+00 -0.655008D+01 -0.137215D+01
      2  -0.366702D+01 -0.566673D+00  0.368128D+00 -0.137215D+01  0.224320D+01
      3   0.543196D+00  0.368128D+00 -0.372649D+01  0.506107D+00 -0.466522D+00
                51            52            53            54            55 
      1   0.506107D+00  0.243264D+01  0.498265D+00 -0.691268D+01  0.402958D+01
      2  -0.466522D+00  0.498265D+00 -0.449392D+00 -0.337303D+01  0.186641D+01
      3  -0.268684D+01 -0.691268D+01 -0.337303D+01  0.988483D+00  0.278372D+00
                56            57            58            59            60 
      1   0.186641D+01  0.278372D+00 -0.182308D+01 -0.389819D+00  0.189373D+01
      2  -0.272350D+01  0.402682D+00 -0.389819D+00  0.137472D+01 -0.451867D+00
      3   0.402682D+00  0.482006D+01  0.189373D+01 -0.451867D+00 -0.144519D+01
                61            62            63            64            65 
      1   0.517822D+01 -0.202730D+01  0.695201D+01 -0.176675D+01 -0.125202D+01
      2  -0.202730D+01  0.111662D+01  0.917804D+00 -0.125202D+01 -0.215047D-01
      3   0.695201D+01  0.917804D+00  0.697635D+01  0.149858D+01  0.193005D+01
                66            67            68            69            70 
      1   0.149858D+01  0.214992D+01  0.110122D+01 -0.855386D-03 -0.977648D+00
      2   0.193005D+01  0.110122D+01 -0.156551D+01  0.153500D+01 -0.923584D+00
      3   0.426632D+00 -0.855386D-03  0.153500D+01  0.437287D+01  0.204569D+01
                71            72            73            74            75 
      1  -0.923584D+00  0.204569D+01 -0.776477D+01  0.127555D+01  0.803611D-01
      2   0.480092D+01  0.300083D+01  0.127555D+01 -0.187276D+01  0.354793D+01
      3   0.300083D+01  0.874584D+01  0.803611D-01  0.354793D+01  0.215603D+00
                76            77            78            79            80 
      1   0.140222D+01  0.140175D+00 -0.263856D+00  0.375091D+00  0.253104D+01
      2   0.140175D+00  0.134720D+02  0.137283D+01  0.253104D+01  0.105310D+01
      3  -0.263856D+00  0.137283D+01  0.204136D+01 -0.998154D+00  0.831264D+00
                81            82            83            84            85 
      1  -0.998154D+00  0.559937D+00 -0.300089D+01 -0.203974D+01 -0.103509D+01
      2   0.831264D+00 -0.300089D+01 -0.486907D+01 -0.915287D+00 -0.314964D+01
      3  -0.323960D+01 -0.203974D+01 -0.915287D+00  0.167944D+01  0.399067D+00
                86            87            88            89            90 
      1  -0.314964D+01  0.399067D+00 -0.131297D+01 -0.203542D+00  0.240516D+01
      2  -0.946806D+01 -0.147997D+01 -0.203542D+00  0.180158D+01 -0.131297D+01
      3  -0.147997D+01  0.837161D-01  0.240516D+01 -0.131297D+01  0.362260D+00
                91            92            93            94            95 
      1  -0.829865D+00 -0.285885D+01  0.200856D+01 -0.718545D+00  0.292843D+01
      2  -0.285885D+01  0.475696D+01 -0.109271D+01  0.292843D+01 -0.935536D+01
      3   0.200856D+01 -0.109271D+01 -0.164888D+01  0.222959D+00  0.171758D+01
                96            97            98            99           100 
      1   0.222959D+00  0.967695D+00 -0.435281D+00 -0.239439D+01  0.937537D+01
      2   0.171758D+01 -0.435281D+00 -0.166998D+01 -0.133080D+01  0.697436D+00
      3   0.685868D-01 -0.239439D+01 -0.133080D+01 -0.391453D+00 -0.980110D-01
               101           102           103           104           105 
      1   0.697436D+00 -0.980110D-01  0.562352D+00  0.620147D+00 -0.357667D+00
      2   0.224416D+01  0.302148D+01  0.620147D+00  0.130017D+02 -0.136916D+01
      3   0.302148D+01 -0.391324D+00 -0.357667D+00 -0.136916D+01  0.179815D+01
               106           107           108           109           110 
      1   0.311310D+00  0.262834D+01  0.122071D+01 -0.123799D+02  0.461295D+01
      2   0.262834D+01 -0.110839D+01  0.121933D+01  0.461295D+01 -0.667445D+01
      3   0.122071D+01  0.121933D+01  0.332446D+01  0.119184D+00 -0.166563D+01
               111           112           113           114           115 
      1   0.119184D+00  0.108072D+02 -0.498917D+01 -0.258720D+01  0.853128D+01
      2  -0.166563D+01 -0.498917D+01  0.109334D+01  0.329943D+00 -0.371751D+00
      3  -0.618487D+00 -0.258720D+01  0.329943D+00  0.218544D+01 -0.329568D+01
               116           117           118           119           120 
      1  -0.371751D+00 -0.329568D+01 -0.162284D+02 -0.322553D+01 -0.563586D+01
      2   0.359391D+01  0.133777D+01 -0.322553D+01 -0.308129D+01 -0.128770D+01
      3   0.133777D+01  0.156316D+01 -0.563586D+01 -0.128770D+01 -0.380330D+01
               121           122           123           124           125 
      1  -0.973180D+01 -0.152050D+00  0.382139D+01 -0.433524D+01  0.292827D+01
      2  -0.152050D+00 -0.788314D+00 -0.133637D+00  0.292827D+01  0.224425D+01
      3   0.382139D+01 -0.133637D+00 -0.107998D+01  0.200476D+01 -0.298253D+00
               126           127           128           129           130 
      1   0.200476D+01 -0.285126D+01  0.265321D+01  0.817470D+00 -0.870879D+00
      2  -0.298253D+00  0.265321D+01  0.285636D+01  0.622430D+00  0.687485D+00
      3  -0.111851D+01  0.817470D+00  0.622430D+00 -0.443877D+01  0.186083D+01
               131           132           133           134           135 
      1   0.687485D+00  0.186083D+01 -0.588525D+01 -0.200364D+01 -0.670311D+01
      2   0.111107D+01  0.577970D+00 -0.200364D+01 -0.789797D+00  0.956243D+00
      3   0.577970D+00 -0.115383D+01 -0.670311D+01  0.956243D+00 -0.739419D+01
               136           137           138           139           140 
      1   0.844013D+00 -0.109443D+01 -0.133603D+01  0.219229D+01 -0.165286D+01
      2  -0.109443D+01  0.287685D+00  0.173028D+01 -0.165286D+01 -0.154290D+01
      3  -0.133603D+01  0.173028D+01 -0.258917D+00 -0.391564D+00 -0.197575D+01
               141           142           143           144           145 
      1  -0.391564D+00  0.552778D+00 -0.135151D+01 -0.180954D+01  0.543646D+01
      2  -0.197575D+01 -0.135151D+01 -0.470611D+01  0.278608D+01 -0.310205D+01
      3   0.413041D+01 -0.180954D+01  0.278608D+01 -0.889655D+01 -0.905230D+00
               146           147           148           149           150 
      1  -0.310205D+01 -0.905230D+00 -0.735053D+01  0.750704D+01 -0.387768D+00
      2   0.389930D+01 -0.139794D+01  0.750704D+01 -0.618493D+01 -0.634590D+00
      3  -0.139794D+01 -0.105450D+01 -0.387768D+00 -0.634590D+00 -0.155993D+01
               151           152           153           154           155 
      1  -0.243143D+01 -0.246239D+01 -0.202771D+00  0.101581D+01 -0.262823D+01
      2  -0.246239D+01 -0.182474D+00 -0.232632D+01 -0.262823D+01 -0.496849D+00
      3  -0.202771D+00 -0.232632D+01 -0.170042D+01 -0.276483D+01  0.355556D+01
               156           157           158           159           160 
      1  -0.276483D+01 -0.398758D+01 -0.334491D+00  0.449911D+01 -0.288741D+01
      2   0.355556D+01 -0.334491D+00  0.656225D+00 -0.168230D+01  0.423639D+01
      3   0.186374D+01  0.449911D+01 -0.168230D+01  0.517571D+00  0.206152D+01
               161           162           163           164           165 
      1   0.423639D+01  0.206152D+01  0.535026D+01  0.312379D+01  0.736869D+00
      2  -0.162851D+01  0.920548D+00  0.312379D+01  0.149460D+01 -0.302679D+01
      3   0.920548D+00 -0.166676D+01  0.736869D+00 -0.302679D+01 -0.557948D+00
               166           167           168           169           170 
      1   0.541421D+01  0.301259D+01 -0.449954D+01  0.720764D+00 -0.457528D+01
      2   0.301259D+01 -0.383330D+00  0.955385D+00 -0.457528D+01  0.730965D+00
      3  -0.449954D+01  0.955385D+00 -0.179147D+01  0.627345D+00 -0.200884D+01
               171           172           173           174           175 
      1   0.627345D+00  0.427210D+01  0.624096D+00  0.673345D+00  0.401647D+01
      2  -0.200884D+01  0.624096D+00  0.658870D+00  0.250533D+01  0.287679D+01
      3   0.658725D+00  0.673345D+00  0.250533D+01  0.206727D+01  0.313498D+01
               176           177           178           179           180 
      1   0.287679D+01  0.313498D+01 -0.832520D+00  0.218366D+01  0.318734D+01
      2   0.354205D+01 -0.225319D+00  0.218366D+01 -0.926065D+00  0.313640D+01
      3  -0.225319D+00  0.237995D+01  0.318734D+01  0.313640D+01  0.282771D+01
               181           182           183           184           185 
      1  -0.113232D-01 -0.604667D+01  0.110771D+00  0.119692D+01 -0.231794D+00
      2  -0.604667D+01 -0.343908D+00 -0.328905D+01 -0.231794D+00 -0.886068D+01
      3   0.110771D+00 -0.328905D+01 -0.773720D-01 -0.336233D+01  0.316907D+00
               186           187           188           189           190 
      1  -0.336233D+01  0.172903D+00 -0.485756D+01  0.245589D+00  0.905157D+01
      2   0.316907D+00 -0.485756D+01  0.256925D+00 -0.429923D+01 -0.170896D+01
      3  -0.136000D+01  0.245589D+00 -0.429923D+01  0.235289D+00 -0.506988D+00
               191           192           193           194           195 
      1  -0.170896D+01 -0.506988D+00 -0.488252D+01  0.170745D+01  0.456855D-01
      2   0.636388D+00  0.895402D+00  0.170745D+01 -0.110173D+02 -0.286850D+01
      3   0.895402D+00  0.150623D+01  0.456855D-01 -0.286850D+01 -0.300566D+01
               196           197           198           199           200 
      1  -0.354160D+01  0.114443D+01  0.805836D+00 -0.977352D+01 -0.102395D+01
      2   0.114443D+01 -0.192494D+01 -0.343998D+01 -0.102395D+01 -0.881395D+00
      3   0.805836D+00 -0.343998D+01 -0.694812D+01  0.582376D+00  0.748357D+00
               201           202           203           204           205 
      1   0.582376D+00 -0.373012D+01 -0.204635D+01  0.338346D+00  0.379198D+01
      2   0.748357D+00 -0.204635D+01 -0.997448D+01  0.307783D+01  0.100768D+01
      3  -0.176229D+01  0.338346D+00  0.307783D+01 -0.284228D+01 -0.118270D+01
               206           207           208           209           210 
      1   0.100768D+01 -0.118270D+01 -0.204789D+01  0.105195D+01  0.254872D+01
      2   0.223646D+01 -0.322833D+01  0.105195D+01 -0.693900D+00 -0.140454D+01
      3  -0.322833D+01  0.794518D+01  0.254872D+01 -0.140454D+01 -0.416013D+01
               211           212           213           214           215 
      1   0.901203D+00 -0.494154D+00 -0.649134D+00  0.227465D+01 -0.353274D+00
      2  -0.494154D+00  0.678212D+00  0.453467D+00 -0.353274D+00  0.685224D+00
      3  -0.649134D+00  0.453467D+00 -0.962626D-01 -0.243245D+01  0.197002D+00
               216           217           218           219           220 
      1  -0.243245D+01  0.411377D+00 -0.361542D+00 -0.543168D-01 -0.980804D+00
      2   0.197002D+00 -0.361542D+00  0.311468D+00  0.130648D-02  0.952054D+00
      3   0.387225D+01 -0.543168D-01  0.130648D-02 -0.939976D+00 -0.125900D+01
               221           222           223           224           225 
      1   0.952054D+00 -0.125900D+01  0.552468D+00 -0.251465D+00 -0.398015D-01
      2  -0.338435D+01  0.354540D+01 -0.251465D+00  0.224547D+01 -0.270868D+01
      3   0.354540D+01 -0.450053D+01 -0.398015D-01 -0.270868D+01  0.422617D+01
               226           227           228           229           230 
      1  -0.856783D+00 -0.526861D+00 -0.764310D+00 -0.175059D+01 -0.819897D-01
      2  -0.526861D+00 -0.456747D+00  0.218167D+00 -0.819897D-01  0.855649D+00
      3  -0.764310D+00  0.218167D+00 -0.972892D+00  0.321543D-01 -0.694163D+00
               231           232           233           234           235 
      1   0.321543D-01 -0.419475D+01 -0.785208D+00  0.132905D+01  0.900804D-01
      2  -0.694163D+00 -0.785208D+00 -0.122817D+01  0.135506D+01  0.867927D+00
      3  -0.584803D+00  0.132905D+01  0.135506D+01 -0.589207D+01  0.191752D+00
               236           237           238           239           240 
      1   0.867927D+00  0.191752D+00  0.320031D+01  0.213659D+01 -0.778570D+00
      2   0.796329D+00 -0.714555D-01  0.213659D+01  0.900981D+01 -0.131067D+01
      3  -0.714555D-01 -0.353340D+00 -0.778570D+00 -0.131067D+01  0.743217D+00
               241           242           243           244           245 
      1   0.905678D-01 -0.628437D-01  0.179316D+00  0.605726D+01  0.216937D+01
      2  -0.628437D-01  0.680693D-01  0.960272D+00  0.216937D+01  0.125634D+01
      3   0.179316D+00  0.960272D+00 -0.460267D+00 -0.345315D+01 -0.110352D+01
               246           247           248           249           250 
      1  -0.345315D+01  0.266985D+01  0.193999D+01 -0.127027D+01 -0.633460D+01
      2  -0.110352D+01  0.193999D+01  0.121071D+01 -0.139891D+01 -0.197070D+01
      3   0.249902D+01 -0.127027D+01 -0.139891D+01  0.140040D+01  0.522525D+01
               251           252           253           254           255 
      1  -0.197070D+01  0.522525D+01  0.426778D+01  0.202788D+01  0.182172D+01
      2  -0.170491D+01  0.232001D+01  0.202788D+01  0.125245D+01  0.652817D+00
      3   0.232001D+01 -0.492672D+01  0.182172D+01  0.652817D+00  0.150040D+01
               256           257           258           259           260 
      1   0.302705D+01  0.190960D+01  0.801486D+00  0.443948D+01  0.165100D+01
      2   0.190960D+01  0.155840D+01  0.108026D+01  0.165100D+01  0.190602D+01
      3   0.801486D+00  0.108026D+01  0.112646D+01  0.304528D+01  0.176197D+01
               261           262           263           264           265 
      1   0.304528D+01 -0.225962D+01 -0.144891D+01 -0.102208D+01 -0.197846D+01
      2   0.176197D+01 -0.144891D+01 -0.419897D+00 -0.181750D+00 -0.621844D-01
      3   0.292140D+01 -0.102208D+01 -0.181750D+00 -0.115988D+01  0.116883D-01
               266           267           268           269           270 
      1  -0.621844D-01  0.116883D-01 -0.173109D+01 -0.149572D+00 -0.202249D+00
      2  -0.852312D+00 -0.921666D+00 -0.149572D+00 -0.170618D+01 -0.157230D+01
      3  -0.921666D+00 -0.115430D+01 -0.202249D+00 -0.157230D+01 -0.365900D+01
               271           272           273           274           275 
      1   0.134434D+02 -0.436887D+01 -0.168049D+01 -0.428398D+01  0.301987D+01
      2  -0.436887D+01  0.240134D+01  0.379177D+00  0.301987D+01 -0.185923D+01
      3  -0.168049D+01  0.379177D+00  0.702314D+00  0.614556D+00 -0.412847D+00
               276           277           278           279           280 
      1   0.614556D+00 -0.462497D+00  0.290956D+00  0.126873D+01  0.906060D+01
      2  -0.412847D+00  0.290956D+00 -0.181060D+00 -0.780936D+00 -0.146298D+01
      3  -0.571493D+00  0.126873D+01 -0.780936D+00 -0.355788D+00  0.407143D+01
               281           282           283           284           285 
      1  -0.146298D+01  0.407143D+01  0.249030D+00  0.144213D+01 -0.325842D-01
      2   0.725662D+00 -0.883516D+00  0.144213D+01 -0.949737D+00  0.805388D+00
      3  -0.883516D+00  0.308397D+01 -0.325842D-01  0.805388D+00  0.332401D+00
               286           287           288           289           290 
      1   0.784676D+01 -0.199857D+01  0.513306D+01 -0.163899D+00 -0.111531D+01
      2  -0.199857D+01  0.113321D+01 -0.115642D+01 -0.111531D+01 -0.452645D+00
      3   0.513306D+01 -0.115642D+01  0.516479D+01  0.530944D-01  0.151745D+00
               291           292           293           294           295 
      1   0.530944D-01 -0.345950D+01  0.229269D+01 -0.201109D+00  0.513253D+00
      2   0.151745D+00  0.229269D+01 -0.768276D+01  0.101005D+01 -0.353610D+00
      3   0.524751D-01 -0.201109D+00  0.101005D+01 -0.911519D+00  0.885293D+00
               296           297           298           299           300 
      1  -0.353610D+00  0.885293D+00  0.274298D+01  0.341137D+01  0.102608D+01
      2   0.195855D+00 -0.696630D+00  0.341137D+01  0.684978D+01  0.124611D+01
      3  -0.696630D+00  0.541334D+00  0.102608D+01  0.124611D+01  0.630522D+00
               301           302           303           304           305 
      1   0.248773D+01  0.318728D+01  0.796995D+00  0.518482D+00  0.708776D+00
      2   0.318728D+01  0.118761D+02  0.175533D+01  0.708776D+00  0.639941D+00
      3   0.796995D+00  0.175533D+01  0.115030D+01  0.476499D+00  0.186534D+01
               306           307           308           309           310 
      1   0.476499D+00 -0.306974D+01  0.138767D+01  0.155103D+01  0.473336D+00
      2   0.186534D+01  0.138767D+01 -0.138891D+01 -0.106010D+01 -0.714199D+00
      3   0.739616D+00  0.155103D+01 -0.106010D+01 -0.172266D+01 -0.493172D+00
               311           312           313           314           315 
      1  -0.714199D+00 -0.493172D+00  0.170422D+01 -0.100117D+01 -0.156165D+01
      2   0.184591D+01  0.119455D+01 -0.100117D+01  0.223034D+01  0.153707D+01
      3   0.119455D+01  0.847280D+00 -0.156165D+01  0.153707D+01  0.267596D+01
               316           317           318           319           320 
      1   0.298893D+01  0.140095D+01 -0.158268D+01  0.492047D+00  0.624384D+00
      2   0.140095D+01  0.128964D+01 -0.104761D+01  0.624384D+00  0.168175D+01
      3  -0.158268D+01 -0.104761D+01  0.181056D+01 -0.450057D+00 -0.112490D+01
               321           322           323           324           325 
      1  -0.450057D+00 -0.163708D+01 -0.103483D+01  0.156401D+01 -0.252737D+01
      2  -0.112490D+01 -0.103483D+01 -0.209644D+01  0.149297D+01  0.321627D+01
      3   0.772586D+00  0.156401D+01  0.149297D+01 -0.270609D+01 -0.105079D+01
               326           327           328           329           330 
      1   0.321627D+01 -0.105079D+01  0.233318D+01 -0.296449D+01  0.839059D+00
      2  -0.674774D+01  0.137105D+01 -0.296449D+01  0.118238D+02 -0.193808D+01
      3   0.137105D+01 -0.658949D+00  0.839059D+00 -0.193808D+01  0.122938D+01
               331           332           333           334           335 
      1  -0.553632D+00  0.759082D+00 -0.460801D+00  0.258821D+01  0.105523D+01
      2   0.759082D+00 -0.871992D+00  0.189603D+01  0.105523D+01  0.629417D+00
      3  -0.460801D+00  0.189603D+01 -0.821740D+00 -0.267218D+01 -0.127438D+01
               336           337           338           339           340 
      1  -0.267218D+01  0.890681D+00  0.503180D+00 -0.504627D+00 -0.232035D+01
      2  -0.127438D+01  0.503180D+00  0.634157D+00 -0.397565D+00 -0.320616D+00
      3   0.412702D+01 -0.504627D+00 -0.397565D+00 -0.336786D+00  0.239476D+01
               341           342           343           344           345 
      1  -0.320616D+00  0.239476D+01 -0.305518D+00 -0.450745D+00 -0.101273D+00
      2  -0.666200D+00  0.443935D-01 -0.450745D+00 -0.329685D+00 -0.981785D-02
      3   0.443935D-01 -0.353876D+01 -0.101273D+00 -0.981785D-02  0.983967D+00
               346           347           348           349           350 
      1  -0.101704D+01 -0.837570D+00 -0.115635D+01 -0.477956D+00 -0.225946D+00
      2  -0.837570D+00 -0.338075D+01 -0.352114D+01 -0.225946D+00 -0.230471D+01
      3  -0.115635D+01 -0.352114D+01 -0.453637D+01  0.116535D+00 -0.271965D+01
               351           352           353           354           355 
      1   0.116535D+00 -0.555350D+01  0.325178D+01  0.134539D+00  0.640809D+01
      2  -0.271965D+01  0.325178D+01 -0.343122D+01  0.324930D+00 -0.575942D+01
      3  -0.398602D+01  0.134539D+00  0.324930D+00 -0.204957D+00 -0.586611D+00
               356           357           358           359           360 
      1  -0.575942D+01 -0.586611D+00 -0.243076D+01  0.197149D+01 -0.518555D+00
      2   0.827238D+01  0.101362D-01  0.197149D+01 -0.222730D+01  0.125847D+01
      3   0.101362D-01  0.100193D+01 -0.518555D+00  0.125847D+01 -0.596258D+00
               361           362           363           364           365 
      1   0.247891D+01  0.653356D+00  0.735007D+00  0.194494D+01 -0.597097D+00
      2   0.653356D+00  0.625374D+00  0.833436D+00 -0.597097D+00  0.244456D+01
      3   0.735007D+00  0.833436D+00  0.106896D+01 -0.802031D-01  0.141856D+01
               366           367           368           369           370 
      1  -0.802031D-01  0.226317D+01  0.638877D+00 -0.136993D+00 -0.801006D+01
      2   0.141856D+01  0.638877D+00  0.176504D+01  0.244726D+01  0.260199D+01
      3   0.131079D+01 -0.136993D+00  0.244726D+01  0.384407D+01  0.407241D+01
               371           372           373           374           375 
      1   0.260199D+01  0.407241D+01  0.397119D+01 -0.235418D+01 -0.238071D+01
      2  -0.143484D+01 -0.181134D+01 -0.235418D+01  0.202364D+01  0.184210D+01
      3  -0.181134D+01 -0.296086D+01 -0.238071D+01  0.184210D+01  0.174603D+01
               376           377           378           379           380 
      1   0.397456D+01 -0.163492D+01 -0.373639D+01  0.242017D+01 -0.103098D+01
      2  -0.163492D+01  0.116990D+01  0.149062D+01 -0.103098D+01  0.816781D+00
      3  -0.373639D+01  0.149062D+01  0.365454D+01  0.894904D+00 -0.498019D+00
               381           382           383           384           385 
      1   0.894904D+00 -0.197087D+01  0.645397D+00 -0.576122D+00  0.159388D+01
      2  -0.498019D+00  0.645397D+00 -0.187262D+01  0.127193D+01 -0.479516D+00
      3   0.455943D+00 -0.576122D+00  0.127193D+01 -0.185005D+01 -0.329887D+00
               386           387           388           389           390 
      1  -0.479516D+00 -0.329887D+00 -0.111545D+02 -0.381214D+01  0.127078D+01
      2   0.129002D+01 -0.121607D+01 -0.381214D+01 -0.202351D+01  0.595555D+00
      3  -0.121607D+01  0.322168D+01  0.127078D+01  0.595555D+00 -0.802147D+00
               391           392           393           394           395 
      1  -0.644204D+01 -0.360028D+01  0.114720D+01  0.318085D+01  0.153532D+01
      2  -0.360028D+01 -0.261980D+01  0.333056D+00  0.153532D+01  0.605182D+00
      3   0.114720D+01  0.333056D+00 -0.462535D+00 -0.179186D+01 -0.479825D+00
               396           397           398           399           400 
      1  -0.179186D+01 -0.469712D+01  0.135243D+01 -0.188571D+01  0.336559D+01
      2  -0.479825D+00  0.135243D+01 -0.107140D+01  0.820447D+00 -0.252984D+01
      3   0.785306D+00 -0.188571D+01  0.820447D+00 -0.111647D+01  0.199608D+01
               401           402           403           404           405 
      1  -0.252984D+01  0.199608D+01 -0.385541D+01  0.171496D+01 -0.238889D+01
      2   0.248210D+01 -0.145503D+01  0.171496D+01 -0.135913D+01  0.144588D+01
      3  -0.145503D+01  0.191784D+01 -0.238889D+01  0.144588D+01 -0.287849D+01
               406           407           408           409           410 
      1   0.254871D+00 -0.109852D+01  0.112778D+01 -0.408050D+01 -0.230928D+01
      2  -0.109852D+01 -0.106646D+00 -0.164701D-01 -0.230928D+01 -0.522030D+01
      3   0.112778D+01 -0.164701D-01  0.158466D+00 -0.469576D+00  0.666036D+00
               411           412           413           414           415 
      1  -0.469576D+00  0.366601D+01  0.164399D+00 -0.318273D+00 -0.349063D+01
      2   0.666036D+00  0.164399D+00  0.161461D+01 -0.121982D+01 -0.144309D+01
      3  -0.990449D+00 -0.318273D+00 -0.121982D+01  0.515885D+00 -0.233075D+01
               416           417           418           419           420 
      1  -0.144309D+01 -0.233075D+01 -0.243821D+01 -0.217907D+01 -0.160662D+01
      2  -0.110754D+01 -0.145894D+01 -0.217907D+01 -0.259153D+01 -0.190505D+01
      3  -0.145894D+01 -0.194068D+01 -0.160662D+01 -0.190505D+01 -0.188754D+01
               421           422           423 
      1  -0.503329D+01 -0.253061D+01 -0.394650D+01
      2  -0.253061D+01 -0.239834D+01 -0.329857D+01
      3  -0.394650D+01 -0.329857D+01 -0.583472D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.781708D+01  0.219754D+00 -0.365084D+01  0.339038D+01  0.732858D+01
      2   0.336804D+01  0.307164D+01  0.108214D+02  0.102241D+02  0.567874D+01
      3  -0.174927D+02  0.362785D+01  0.303355D+01  0.149561D+02  0.216076D+02
                 6             7             8             9            10 
      1  -0.552234D+01  0.396855D+01  0.777042D+01 -0.136380D+02 -0.329259D+01
      2   0.418528D+01 -0.159588D+02 -0.596938D+01  0.276799D+02 -0.266577D+02
      3  -0.233073D+01  0.490097D+01  0.233824D+01  0.297109D-01  0.201829D+02
                11            12            13            14            15 
      1   0.162894D+02 -0.160478D+01  0.355479D+02 -0.621170D+01 -0.573472D+01
      2  -0.153658D+02  0.194789D+01 -0.455812D+02 -0.788204D+01  0.196354D+02
      3  -0.128090D+02  0.659929D+01  0.126396D+01  0.126673D+02 -0.135740D+02
                16            17            18            19            20 
      1   0.175232D+01 -0.111315D+02  0.117752D+02 -0.109787D+02  0.134655D+02
      2   0.113334D+02  0.286796D+01 -0.207261D+02 -0.291743D+02  0.166395D+01
      3  -0.930808D+01  0.874171D+01  0.294385D+01  0.181670D+02 -0.127586D+02
                21            22            23            24            25 
      1  -0.118456D+02 -0.820827D+01 -0.127472D+01 -0.232311D+01  0.138643D+02
      2  -0.653570D+01  0.391081D+02 -0.101860D+02 -0.199743D+02 -0.417141D+02
      3   0.101258D+02 -0.238191D+01  0.121457D+01  0.165248D+02  0.167901D+01
                26            27            28            29            30 
      1  -0.624826D+01  0.671005D+00 -0.515777D+00  0.215405D+01 -0.262806D+01
      2  -0.857549D+01  0.892120D+01  0.289042D+00  0.703107D+00 -0.609875D+01
      3   0.161093D+02 -0.985106D+01  0.289399D+01 -0.529040D+01 -0.148395D+00
                31            32            33            34            35 
      1   0.801066D+00  0.105405D+02 -0.627105D+01 -0.947357D+01  0.116610D+01
      2  -0.554559D+01  0.491048D+01 -0.539789D+01 -0.180295D+02 -0.328603D+01
      3   0.143943D+02 -0.290468D+02 -0.486478D+00  0.107468D+01 -0.653826D+01
                36            37            38            39            40 
      1   0.330843D+00 -0.436281D+01  0.646346D+00  0.258907D+01  0.482500D+00
      2   0.567481D+00 -0.225581D+01  0.324032D+01  0.189130D+02  0.283103D+01
      3   0.873730D+01 -0.223212D+02 -0.223485D+01  0.346723D+00  0.100959D+01
                41            42            43            44            45 
      1   0.267856D+01 -0.151195D+01  0.334006D+01  0.319644D+01 -0.220788D+01
      2   0.538906D+01  0.107177D+02  0.197390D+02  0.116965D+02  0.497508D+01
      3   0.150508D+02 -0.579480D+01 -0.205602D+01 -0.483758D+01 -0.130939D+02
                46            47            48            49            50 
      1   0.555120D+01 -0.282854D+00  0.373586D+01 -0.271607D+01 -0.368307D+01
      2   0.572240D+01 -0.114642D+01 -0.193606D+02 -0.749742D+00 -0.410813D+01
      3   0.270536D+02 -0.401120D+01 -0.250948D+01 -0.215425D+01 -0.163276D+02
                51            52            53            54            55 
      1   0.277281D+01  0.792148D+01  0.742717D+01  0.972631D+00  0.310715D+01
      2  -0.128641D+02 -0.414026D+02 -0.175244D+02  0.850270D+00 -0.165344D+02
      3   0.515356D+01  0.127212D+00  0.328342D+01  0.865119D+01  0.246167D+02
                56            57            58            59            60 
      1  -0.115732D+02  0.641995D+01 -0.114657D+02 -0.456783D+01 -0.408614D+01
      2  -0.359193D+01  0.172361D+02  0.224234D+02  0.482504D+01 -0.720998D+01
      3   0.741080D+01 -0.676664D+01  0.103943D+01  0.346832D+01  0.635393D+01
                61            62            63            64            65 
      1  -0.187740D+02  0.107516D+02 -0.104840D+02 -0.600937D+01 -0.878448D+01
      2   0.126934D+02  0.621711D+01  0.731927D+01  0.249493D+02  0.845993D+01
      3   0.456250D+01 -0.789789D+01  0.131984D+02 -0.208775D+02 -0.364037D+00
                66            67            68            69            70 
      1   0.789667D-01  0.290310D+01 -0.149345D+02  0.892109D+01 -0.781309D+01
      2   0.612551D+01 -0.943243D+01  0.717668D+01  0.492283D+01  0.419951D+01
      3  -0.153182D+01  0.749053D+01  0.983926D+01 -0.172557D+02 -0.198318D+01
                71            72            73            74            75 
      1   0.101997D+02 -0.130473D+02  0.314993D+02 -0.162121D+02  0.102321D+02
      2   0.926729D+01  0.158793D+02  0.861248D+01 -0.209428D+01  0.440704D+01
      3  -0.725713D+01  0.394628D+00 -0.361399D+02  0.433016D+01 -0.926550D+01
                76            77            78            79            80 
      1   0.995693D+01  0.466224D+02  0.430510D+01  0.123529D+02  0.579234D+01
      2  -0.854814D+01  0.672695D+01  0.681360D+01 -0.302926D+00  0.678727D+01
      3  -0.399964D+01 -0.382040D+02 -0.725158D+01 -0.120603D+02  0.483301D+01
                81            82            83            84            85 
      1   0.238115D+02  0.425962D+01  0.588637D+00 -0.121682D+02 -0.106093D+02
      2  -0.932719D+01 -0.278660D+01  0.383874D+01  0.568881D+01  0.159701D+01
      3  -0.194156D+02  0.701333D+01 -0.182027D+02 -0.792826D+01  0.137703D+01
                86            87            88            89            90 
      1  -0.160325D+02 -0.650745D+01 -0.149853D+02  0.884807D+01 -0.982977D+01
      2  -0.818887D+00  0.147071D+01  0.167047D+01  0.233766D+01 -0.343435D+01
      3  -0.150191D+01  0.550669D+01 -0.767470D+01 -0.631970D+00  0.141809D+02
                91            92            93            94            95 
      1  -0.356190D+01  0.145651D+01  0.122552D+02 -0.975226D+01  0.151348D+02
      2  -0.184492D+01 -0.426864D+01  0.541768D+01  0.102877D+00 -0.168032D+01
      3  -0.721324D+01 -0.184894D+02  0.820158D+01  0.125157D+01  0.246184D+01
                96            97            98            99           100 
      1  -0.668420D+01  0.155534D+02  0.899849D+01  0.102966D+02 -0.315030D+02
      2  -0.127895D+01  0.793567D+00 -0.289979D+01 -0.341115D+01  0.184708D+02
      3   0.470856D+01  0.648503D+01 -0.116821D+01 -0.139245D+02  0.391485D+02
               101           102           103           104           105 
      1  -0.135867D+02 -0.949366D+01  0.750439D+01 -0.455093D+02  0.569458D+01
      2   0.409435D+01  0.443385D+01  0.521565D+01  0.885411D+01 -0.604142D+01
      3   0.265721D+01  0.738712D+01 -0.392846D+01  0.379654D+02 -0.724218D+01
               106           107           108           109           110 
      1  -0.127938D+02  0.263086D+01 -0.261339D+02  0.816608D+01  0.151346D+02
      2  -0.369932D-01 -0.727928D+01 -0.618433D+01 -0.289908D+02  0.130467D+02
      3   0.140059D+02  0.608818D+01  0.214754D+02 -0.201188D+02 -0.145027D+02
               111           112           113           114           115 
      1  -0.920109D+00  0.368914D+02  0.310944D+01 -0.491548D+01 -0.486810D+01
      2  -0.317758D+01  0.360863D+02 -0.134478D+02 -0.182301D+02  0.946039D+01
      3  -0.660570D+01 -0.327410D+01 -0.141804D+02 -0.885034D+01  0.450845D+01
               116           117           118           119           120 
      1  -0.107800D+02 -0.125711D+02  0.146013D+02  0.140233D+02  0.101450D+02
      2  -0.182037D+01 -0.199552D+02 -0.331427D+02 -0.615968D+01 -0.653168D+01
      3   0.872372D+01 -0.271691D+01 -0.169377D+02 -0.143085D+02 -0.801346D+01
               121           122           123           124           125 
      1  -0.104283D+02  0.223300D+01 -0.257148D+01 -0.162354D+02 -0.634137D+01
      2  -0.351381D+02 -0.640404D+01  0.240485D+02 -0.380510D+02  0.952819D+01
      3   0.274512D+01  0.196072D+01  0.149856D+02  0.306795D+01  0.156621D+02
               126           127           128           129           130 
      1   0.129555D+01 -0.861892D+01 -0.133236D+02 -0.570045D+01 -0.130980D+02
      2   0.125876D+02 -0.191393D+02  0.558763D+01  0.215492D+02 -0.192614D+02
      3   0.877060D+01 -0.182461D+02  0.912195D+01  0.702971D+01  0.327221D+01
               131           132           133           134           135 
      1   0.384806D+01 -0.476166D+01  0.222351D+02  0.998041D+01  0.113196D+02
      2   0.498301D+01  0.745795D+01  0.890091D+01 -0.732326D+01  0.703024D+01
      3  -0.266272D+01  0.505320D+01 -0.798027D+01 -0.734882D+01 -0.122764D+02
               136           137           138           139           140 
      1   0.547021D+01 -0.800563D+01  0.655652D+00  0.710574D+01  0.173860D+02
      2   0.247266D+02 -0.770113D+01  0.588216D+01  0.106079D+02  0.567356D+01
      3   0.188780D+02 -0.627738D+00  0.104966D+01  0.402820D+01 -0.125066D+02
               141           142           143           144           145 
      1   0.989298D+01  0.915317D+01  0.123273D+02  0.142939D+02  0.465834D+01
      2  -0.984787D+01  0.409373D+01 -0.968953D+01  0.161678D+02  0.604095D+01
      3  -0.169040D+02  0.125128D+01 -0.740542D+01 -0.154719D+01  0.253133D+01
               146           147           148           149           150 
      1   0.530995D+01  0.243655D+01  0.533705D+01  0.626376D+00  0.537253D-01
      2   0.461042D+01  0.924144D+01 -0.995276D+01  0.465379D+01  0.922120D+01
      3   0.339119D+01 -0.113241D+02  0.145392D+02 -0.625108D+01 -0.272911D+01
               151           152           153           154           155 
      1  -0.421214D+01  0.109608D+02  0.683468D+01 -0.453139D+01 -0.282914D+01
      2  -0.697412D+01  0.185153D+02  0.173485D+02  0.103142D+02 -0.140878D+02
      3  -0.124588D+02 -0.642395D+01 -0.119100D+02 -0.163263D+02 -0.681457D+01
               156           157           158           159           160 
      1   0.513492D+01 -0.596561D+01  0.151311D+01 -0.512082D+01  0.787351D+01
      2  -0.284066D+01 -0.199091D+02  0.834129D+01 -0.115277D+02 -0.803597D+01
      3   0.183403D+02 -0.600356D+01  0.479358D+01 -0.366176D+01  0.233400D+02
               161           162           163           164           165 
      1  -0.269371D+00  0.234873D+01  0.933434D+00 -0.135137D+01 -0.168933D+01
      2  -0.128624D+02  0.483004D+01 -0.339971D+01  0.191765D+02  0.520872D+01
      3  -0.372502D+01  0.784473D+01  0.189892D+02  0.621602D+01 -0.182586D+02
               166           167           168           169           170 
      1  -0.189624D+01 -0.129410D+01 -0.312657D+01 -0.378788D+01 -0.284318D+00
      2   0.310202D+02 -0.348577D+01  0.100266D+02 -0.439250D+01  0.107561D+02
      3   0.194138D+02 -0.350011D+01  0.612839D+01 -0.298094D+02  0.376195D+01
               171           172           173           174           175 
      1  -0.996745D+00 -0.197561D+01  0.311598D+01  0.905617D+00  0.210454D+01
      2  -0.265396D+01  0.685783D+01 -0.905518D+01 -0.593688D+01 -0.600447D+01
      3  -0.112751D+02 -0.518652D+00  0.682406D+00  0.992629D+01  0.130413D+02
               176           177           178           179           180 
      1  -0.106459D+02  0.526936D+00  0.585273D+01  0.128855D+02  0.320595D+01
      2   0.134196D+02 -0.752034D+01 -0.214273D+02 -0.146232D+02 -0.495352D+01
      3   0.153975D+02 -0.110542D+02  0.120621D+02 -0.100373D+02  0.118768D+02
               181           182           183           184           185 
      1   0.249621D+01  0.152787D+02  0.242202D+00 -0.261044D+02 -0.152792D+01
      2   0.585304D+02  0.682654D+00  0.255161D+02  0.331797D+01 -0.641183D+01
      3  -0.224680D+01 -0.196324D+02 -0.178328D+01  0.853730D+02 -0.109206D+01
               186           187           188           189           190 
      1  -0.554051D+02 -0.252229D+01  0.230073D+02 -0.104980D+01  0.215665D+01
      2  -0.745213D+00 -0.428971D+02  0.848726D+00 -0.293965D+02  0.180257D+01
      3   0.840138D+01 -0.409995D+01 -0.216318D+02  0.193592D+01 -0.117092D+02
               191           192           193           194           195 
      1  -0.570062D+01 -0.456142D+00 -0.775199D+01  0.780273D+01 -0.781649D+01
      2  -0.595230D-01  0.573695D+01  0.813571D+00  0.157344D+01 -0.181406D+01
      3  -0.905176D+01 -0.104932D+01  0.572495D+01  0.577715D+01  0.747349D+01
               196           197           198           199           200 
      1   0.144199D+01  0.110146D+02 -0.394671D+01 -0.421636D+01 -0.662012D+01
      2  -0.769103D+01  0.672586D+00  0.263940D+01  0.322807D+01 -0.274375D+00
      3  -0.440956D+01  0.488404D+01 -0.145888D+01  0.968874D+01 -0.104298D+02
               201           202           203           204           205 
      1   0.885871D-01 -0.895386D+01 -0.629511D+01 -0.555767D+01 -0.508844D+00
      2   0.765680D+01 -0.235773D+01  0.241739D+01  0.279668D+01 -0.620114D+01
      3   0.298374D+01  0.175019D+01 -0.549982D+01  0.848109D+01  0.765606D+01
               206           207           208           209           210 
      1   0.120791D+02  0.272035D+01  0.191458D+01 -0.206126D+01  0.797440D-01
      2  -0.104798D+01  0.232350D+01  0.957531D+01 -0.497112D+01 -0.919596D+01
      3   0.638610D+01  0.375285D+00 -0.951819D+00  0.132300D+00  0.334295D+01
               211           212           213           214           215 
      1  -0.107370D+01  0.140900D+01  0.883697D+00  0.181820D+01  0.237698D+01
      2  -0.673403D+01  0.227026D+01  0.157060D+01 -0.125071D+02  0.733633D+00
      3   0.315059D+01 -0.583957D+00 -0.828272D+00  0.394566D+01  0.904667D+00
               216           217           218           219           220 
      1  -0.240468D+01 -0.977320D+00  0.202570D+01 -0.518905D+00  0.269119D+01
      2   0.958567D+01 -0.375183D+00  0.790153D+00 -0.122082D+01  0.185198D+01
      3  -0.253993D+01  0.124046D+01 -0.202568D+01 -0.401855D+00  0.899598D+00
               221           222           223           224           225 
      1  -0.859219D+01  0.610497D+01 -0.445489D+00  0.765404D+01 -0.507068D+01
      2   0.380387D+01 -0.466319D+01 -0.234122D+01 -0.512027D+01  0.760917D+01
      3   0.532984D+01 -0.630231D+01 -0.512396D+00 -0.509703D+01  0.530247D+01
               226           227           228           229           230 
      1   0.362742D+01 -0.816488D-01  0.240223D+01 -0.848840D+00  0.110361D+01
      2  -0.715487D+01  0.246066D+00 -0.631060D+01 -0.245051D+01 -0.441998D+01
      3  -0.960323D+00  0.245882D+00 -0.279331D+01 -0.241417D+01 -0.289131D+01
               231           232           233           234           235 
      1   0.194714D+01 -0.326047D+01  0.375782D+00  0.141349D+02 -0.223071D+01
      2  -0.249150D+01 -0.238150D+01  0.578829D+01 -0.273863D+02  0.323603D+01
      3   0.309081D+01 -0.505415D+01  0.879759D+00 -0.287683D+01 -0.456501D+01
               236           237           238           239           240 
      1  -0.106257D+01  0.429269D+00  0.411526D+00 -0.744648D+01 -0.307224D+01
      2   0.463476D+00 -0.678629D+00 -0.456580D+00 -0.615540D+01  0.321307D+01
      3  -0.831279D+00  0.119573D+01  0.527421D+01 -0.295964D+02  0.199793D+01
               241           242           243           244           245 
      1   0.124461D+00 -0.139456D+01  0.320738D+00  0.172947D+01 -0.963661D+00
      2  -0.246821D+00  0.352547D+01 -0.271283D+01 -0.116822D+02 -0.398804D+01
      3   0.132886D+01 -0.156619D+01 -0.322640D+01 -0.429194D+01 -0.573906D+01
               246           247           248           249           250 
      1  -0.297301D+01  0.737444D+00  0.203728D+00 -0.147172D+01 -0.549778D+01
      2   0.124448D+02 -0.408501D+01 -0.560886D+01  0.686794D+01  0.191123D+02
      3   0.173738D+01 -0.447866D+01 -0.391545D+01  0.506888D+01  0.465887D+00
               251           252           253           254           255 
      1   0.115349D+01  0.477283D+01 -0.359923D+01 -0.100496D+01 -0.269917D+01
      2   0.105968D+02 -0.225652D+02  0.102638D+02  0.426347D+01  0.102383D+02
      3   0.810525D+01 -0.511255D+01 -0.613363D+01 -0.610351D+01 -0.608601D+00
               256           257           258           259           260 
      1  -0.199628D+01 -0.176190D+01 -0.347261D+01 -0.422197D+01 -0.164782D+01
      2   0.545412D+01  0.654572D+01  0.673594D+01  0.161049D+02  0.944445D+01
      3  -0.333576D+01 -0.583798D+01 -0.483037D+01 -0.898155D+00 -0.100586D+02
               261           262           263           264           265 
      1  -0.548946D+01  0.155811D+01  0.135192D+01 -0.100797D+01  0.646884D+00
      2   0.183425D+02 -0.112273D+02 -0.414697D+01 -0.798877D+01 -0.318462D+01
      3  -0.495767D+01  0.128384D+02  0.576906D+01  0.263700D+01  0.739942D+01
               266           267           268           269           270 
      1  -0.226679D+00 -0.114684D+01  0.483968D-01  0.229964D+01 -0.275902D+01
      2  -0.614117D+01 -0.589733D+01 -0.103876D+02 -0.863579D+01 -0.202287D+02
      3   0.554783D+01  0.532865D+01  0.557877D+01  0.911517D+01  0.919418D+01
               271           272           273           274           275 
      1   0.850901D+00 -0.224701D+01  0.158289D+01 -0.963876D+00  0.766397D+00
      2  -0.106959D+01 -0.486758D+00  0.579186D+01  0.363412D-01 -0.512075D+00
      3   0.104268D+02 -0.129908D+02 -0.499645D+00 -0.912846D+01  0.727564D+01
               276           277           278           279           280 
      1  -0.143555D+01  0.469050D+00  0.402841D+00 -0.198535D-01  0.271387D+01
      2  -0.389698D+01  0.355764D+01 -0.380739D+01 -0.132472D+01  0.155468D+01
      3   0.124618D+01 -0.713838D+00  0.422970D+00  0.346789D+01 -0.448554D+01
               281           282           283           284           285 
      1   0.309557D+00  0.424861D+01  0.134560D+01 -0.881562D-01  0.607159D+00
      2  -0.771342D+00  0.100191D+02 -0.128053D+01  0.987974D+00  0.200970D+01
      3  -0.381196D+01 -0.154748D+01 -0.581814D+01  0.321215D+01 -0.329589D+01
               286           287           288           289           290 
      1   0.405955D+01  0.244075D+01  0.519282D+01 -0.285227D+01 -0.221103D+01
      2   0.757242D+01 -0.117350D+01  0.146843D+02  0.140301D+01 -0.904723D-01
      3  -0.597182D+00 -0.373640D+01 -0.112069D+01  0.746860D+01  0.540345D+01
               291           292           293           294           295 
      1  -0.367773D+00  0.177699D+01 -0.875619D+01 -0.385010D+01 -0.861521D+00
      2  -0.369970D+00  0.328749D+01 -0.172793D+01 -0.393792D+01 -0.932717D+00
      3   0.151275D+01 -0.475817D+00  0.345384D+02 -0.294801D+01  0.327258D+01
               296           297           298           299           300 
      1  -0.649642D-01 -0.245465D+01 -0.745320D+00  0.508971D+01 -0.322102D+01
      2  -0.294162D+01 -0.129683D+01 -0.281978D+01 -0.150670D+01  0.704737D+00
      3   0.175943D+01  0.408541D+01  0.117334D+02  0.663682D+01  0.407354D+01
               301           302           303           304           305 
      1  -0.207504D+01  0.727148D+01 -0.699572D+01 -0.204571D+01 -0.512635D+01
      2  -0.206325D+01 -0.208327D+00  0.534985D+00 -0.161799D+01  0.411289D+00
      3   0.123091D+02  0.558079D+01  0.395027D+01  0.261163D+01  0.171821D+01
               306           307           308           309           310 
      1  -0.519876D+00 -0.497681D+01  0.175572D+01  0.776415D+01  0.142000D+01
      2   0.110055D+01  0.801724D+01 -0.124590D+01 -0.204892D+01  0.771667D+00
      3   0.906650D+00 -0.172179D+02  0.381502D+01  0.695389D+01  0.274704D+01
               311           312           313           314           315 
      1  -0.414339D+01 -0.220265D+01  0.572393D+01 -0.172327D+00 -0.802616D+01
      2   0.146635D+01  0.542826D+00 -0.581765D+01  0.193675D+01  0.293764D+01
      3  -0.262961D+01 -0.256954D+01  0.871508D+01 -0.489241D+01 -0.785870D+01
               316           317           318           319           320 
      1   0.460311D+01  0.155502D+01 -0.798831D+01  0.134028D+01  0.405329D+01
      2   0.671944D+01  0.125359D+01 -0.153369D+01 -0.621623D+00  0.879653D+00
      3   0.160588D+02  0.407020D+01 -0.686220D+01  0.296975D+01  0.187163D+01
               321           322           323           324           325 
      1  -0.203740D+01 -0.528207D+01 -0.327254D+00  0.803898D+01  0.120164D+01
      2  -0.438217D+00 -0.502906D+01 -0.195671D+01  0.259826D+01 -0.293079D+01
      3  -0.224298D+01 -0.783639D+01 -0.478098D+01  0.752251D+01 -0.114123D+02
               326           327           328           329           330 
      1   0.483718D+01  0.275569D+01 -0.236236D+01 -0.675322D+01 -0.702802D+01
      2   0.107683D+01  0.676988D+00  0.252108D+01  0.913121D-02 -0.361038D+00
      3   0.663811D+01 -0.397533D+01  0.121420D+02 -0.611867D+01  0.434175D+01
               331           332           333           334           335 
      1   0.178894D+01 -0.501774D+01  0.842383D+00 -0.215824D+01 -0.195419D+01
      2  -0.195514D+01 -0.145503D+00  0.967706D+00  0.118783D+02  0.520281D+01
      3  -0.309023D+01  0.163641D+01 -0.106283D+01  0.132737D+01 -0.198879D+00
               336           337           338           339           340 
      1  -0.546669D+00 -0.104849D+01 -0.109373D+01  0.114273D+01 -0.188645D+01
      2  -0.820785D+01  0.683803D+01  0.206863D+01 -0.913887D+00 -0.123912D+02
      3  -0.319004D+01  0.265617D+01  0.373055D+00 -0.600649D+00 -0.343251D+01
               341           342           343           344           345 
      1   0.220693D+01  0.228955D+01  0.148179D+01  0.156999D+01  0.462360D+00
      2  -0.337355D+00  0.855499D+01 -0.176331D+00 -0.105558D+01 -0.133185D+01
      3   0.105239D+01  0.207196D+01 -0.135017D+01 -0.169055D+01  0.103816D+00
               346           347           348           349           350 
      1   0.208447D+01  0.900669D+01  0.625371D+01  0.822629D+00  0.762989D+01
      2  -0.227749D+01  0.371249D+01  0.455785D+01 -0.249661D+01  0.489394D+01
      3   0.129260D+01 -0.531162D+01 -0.587409D+01  0.255325D+00 -0.504200D+01
               351           352           353           354           355 
      1   0.536339D+01  0.147094D+01 -0.291238D+01  0.267752D+01 -0.220599D+01
      2   0.708091D+01  0.245877D+01 -0.209286D+01  0.285048D+01  0.226839D+01
      3  -0.548490D+01 -0.168459D+01 -0.579687D+01  0.218143D+01 -0.291518D+01
               356           357           358           359           360 
      1   0.455730D+01 -0.499837D+01  0.183032D+01 -0.321047D+01  0.170773D+01
      2  -0.663569D+00 -0.571297D+01  0.245492D+00 -0.536182D+01  0.107893D+01
      3   0.177523D+02 -0.154042D+01 -0.205277D+00 -0.428867D+01  0.447180D+01
               361           362           363           364           365 
      1  -0.390175D+00 -0.130367D+01 -0.285046D+01  0.144713D+01 -0.151685D+01
      2  -0.922584D+01 -0.595187D+01 -0.708399D+01  0.255942D+00 -0.848858D+01
      3   0.118706D+02  0.474975D+01  0.559661D+01  0.448467D+01  0.765815D+01
               366           367           368           369           370 
      1  -0.307107D+01  0.156372D+01 -0.171575D+01 -0.858816D+01  0.512461D+00
      2  -0.653737D+01 -0.779143D+01 -0.127416D+02 -0.179404D+02 -0.724091D+01
      3   0.555540D+01  0.823994D+01  0.889131D+01  0.110085D+02  0.514234D+01
               371           372           373           374           375 
      1  -0.224429D+01  0.164686D+00 -0.620206D+00  0.247280D+01  0.621789D-01
      2   0.528825D+01  0.112271D+02  0.543475D+01 -0.591694D+01 -0.599975D+01
      3  -0.716995D+01 -0.560927D+01 -0.481658D+01  0.923198D+01  0.635565D+01
               376           377           378           379           380 
      1   0.181544D-01  0.249362D+01 -0.969652D+00 -0.319321D+01  0.337175D+01
      2   0.911326D+01 -0.448285D+01 -0.134185D+02 -0.118126D+02  0.611239D+01
      3  -0.500934D+01  0.535379D+01  0.406196D+01 -0.455851D+01  0.558460D+01
               381           382           383           384           385 
      1  -0.205960D+01  0.399183D+01 -0.630016D+01  0.227163D+01 -0.276386D+01
      2  -0.462315D+01  0.105400D+02 -0.966531D+01  0.113378D+02 -0.599440D+01
      3  -0.339512D+01  0.952087D+01 -0.126865D+02  0.621350D+01 -0.434897D+01
               386           387           388           389           390 
      1   0.500862D+01 -0.369416D+01  0.832947D+00 -0.139383D+00 -0.138034D+01
      2   0.819468D+01 -0.153406D+02 -0.873814D+01 -0.427085D+01  0.768020D+01
      3   0.631851D+01 -0.632686D+01 -0.166470D+02 -0.128833D+02  0.292662D+01
               391           392           393           394           395 
      1   0.135230D+01 -0.253861D+00 -0.168852D+01 -0.500622D+00  0.859650D+00
      2  -0.880634D+01 -0.259083D+01  0.445249D+01  0.866913D+01  0.266091D+01
      3  -0.147085D+02 -0.145552D+02  0.109271D+01  0.720952D+01  0.401291D+01
               396           397           398           399           400 
      1   0.112949D+01 -0.126904D+01  0.830854D+00  0.307338D-01  0.901816D+00
      2  -0.582020D+01  0.821562D+01 -0.405556D+01  0.656162D+01 -0.874187D+01
      3  -0.197845D+01  0.618958D+01 -0.747301D+01  0.521512D+01 -0.111212D+02
               401           402           403           404           405 
      1  -0.121239D+01 -0.875450D+00 -0.250720D+00  0.237606D+01  0.813442D-01
      2   0.629390D+01 -0.116664D+02  0.797428D+01 -0.704777D+01  0.153299D+02
      3   0.156385D+02 -0.795880D+01  0.970588D+01 -0.922299D+01  0.797516D+01
               406           407           408           409           410 
      1   0.651947D+01 -0.297799D+01  0.879191D+00 -0.399986D+00  0.896119D+01
      2  -0.453933D+01  0.171634D+01 -0.148490D+01 -0.145389D+01 -0.101789D+02
      3  -0.716643D+01  0.291347D+01 -0.526128D+01  0.448556D+00 -0.226945D+02
               411           412           413           414           415 
      1  -0.632041D+01  0.101977D+01 -0.512019D+01  0.602565D+01 -0.214036D+01
      2   0.575666D+01  0.136697D+01  0.939171D+01 -0.899783D+01  0.476736D+01
      3   0.666622D+01 -0.926744D+01  0.105547D+02 -0.107711D+02 -0.163419D+01
               416           417           418           419           420 
      1  -0.946313D+00 -0.262621D+01  0.289186D+00  0.128621D+01 -0.153594D+01
      2   0.405583D+01  0.626149D+01  0.202849D+01  0.404149D+01  0.609200D+01
      3  -0.464523D+01 -0.338564D+01 -0.425345D+01 -0.884613D+01 -0.548286D+01
               421           422           423 
      1  -0.185789D+01  0.290052D-01 -0.566110D+01
      2   0.564759D+01  0.980671D+01  0.200147D+02
      3  -0.324422D+01 -0.794869D+01 -0.969690D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393378D+02  0.877381D+01  0.104409D+02  0.180006D+02  0.174422D+02
      2   0.218352D+02 -0.623217D+01 -0.862341D+00 -0.165208D+02 -0.384537D+02
      3   0.175026D+02 -0.254163D+01 -0.957853D+01 -0.147976D+01  0.210115D+02
      4   0.682699D+00 -0.407519D+01  0.110513D+01 -0.723940D+01 -0.454833D+02
      5   0.738492D+01 -0.175569D+01  0.817877D+01  0.655224D+00  0.313654D+01
      6  -0.191682D+01  0.296855D+00  0.416419D+01  0.356025D+01  0.854286D+01
                 6             7             8             9            10 
      1   0.185684D+01  0.117047D+02  0.324708D+01  0.155473D+02  0.270740D+02
      2   0.562468D+01 -0.623969D+01 -0.156168D+01  0.538101D+01 -0.243801D+02
      3  -0.748153D+01 -0.546506D+01 -0.168541D+01 -0.209283D+02 -0.269398D+01
      4   0.601299D+01  0.993828D+01  0.357390D+01  0.406637D+01  0.312653D+02
      5   0.467050D+01  0.355271D+01 -0.249989D+00  0.187693D+02 -0.212418D+01
      6   0.212985D+01 -0.715240D+00  0.668880D-01  0.104274D+02 -0.496240D+01
                11            12            13            14            15 
      1   0.109062D+02 -0.436334D+01  0.521266D+02  0.824737D+01 -0.111327D+02
      2   0.124649D+02  0.241758D+01 -0.149709D+02 -0.145607D+02  0.419194D+01
      3  -0.233711D+02  0.194577D+01 -0.371557D+02  0.631336D+01  0.694077D+01
      4   0.133784D+02 -0.827995D+01  0.189407D+02  0.153923D+02 -0.151144D+01
      5  -0.560891D+01  0.107132D+02 -0.223820D+01 -0.324148D+01  0.362612D+01
      6   0.617863D+01 -0.131341D+01 -0.114962D+01 -0.229101D+01  0.654043D+01
                16            17            18            19            20 
      1  -0.244448D+02  0.515518D+01  0.783132D+01  0.654252D+02 -0.174431D+02
      2   0.504634D+01 -0.109345D+02 -0.379409D+01 -0.367577D+02  0.180445D+02
      3   0.193985D+02  0.577936D+01 -0.403723D+01 -0.286675D+02 -0.601360D+00
      4  -0.326404D+01 -0.105386D+02  0.101787D+02 -0.287453D+02  0.117323D+02
      5   0.189412D+02  0.772810D+01 -0.983918D+01  0.436346D+02 -0.937234D+01
      6   0.715178D+01  0.243142D+01 -0.425944D+01 -0.103537D+02  0.556718D+01
                21            22            23            24            25 
      1   0.170618D+02 -0.544991D+02  0.403527D+01  0.113246D+02  0.250192D+02
      2  -0.204304D+02  0.179006D+02  0.109440D+02 -0.842805D+01 -0.437075D+01
      3   0.336860D+01  0.365985D+02 -0.149793D+02 -0.289655D+01 -0.206484D+02
      4  -0.866651D+01  0.325975D+01 -0.138356D+02  0.686938D+01  0.161154D+02
      5   0.151842D+02  0.660836D+01  0.860765D+01 -0.104498D+01 -0.102370D+01
      6  -0.630818D+01  0.780568D+01 -0.301293D+01 -0.250982D+01  0.108584D+01
                26            27            28            29            30 
      1   0.956166D+01 -0.493312D+01 -0.449049D+02  0.523453D+01 -0.233027D+02
      2  -0.979524D+01 -0.846977D+00  0.331541D+02 -0.976154D+01  0.176459D+02
      3   0.233578D+00  0.578010D+01  0.117509D+02  0.452701D+01  0.565686D+01
      4   0.115241D+01 -0.362001D+01  0.953499D+01  0.304878D+01  0.120572D+02
      5  -0.697145D+00  0.251168D+01 -0.452175D+02  0.118983D+02 -0.369716D+02
      6   0.906489D+00  0.105924D+02  0.109750D+02 -0.233621D+01  0.846417D+01
                31            32            33            34            35 
      1   0.157682D+01  0.101600D+02  0.378662D+01 -0.351976D+02  0.146332D+02
      2   0.678190D+01 -0.232796D+02 -0.324191D+00  0.286407D+02 -0.109797D+02
      3  -0.835873D+01  0.131196D+02 -0.346243D+01  0.655691D+01 -0.365346D+01
      4  -0.102666D+02  0.384859D+02 -0.482415D+01  0.178929D+02  0.625176D+01
      5   0.800152D+01 -0.718369D+01 -0.689995D+01 -0.606173D+02 -0.659163D+00
      6  -0.484223D+01  0.762397D+01  0.125652D+01  0.129791D+02 -0.935000D+00
                36            37            38            39            40 
      1  -0.390585D+02 -0.784814D+02  0.511137D+02  0.138803D+02  0.542421D+02
      2   0.285913D+02  0.349911D+02 -0.233187D+02 -0.384853D+01 -0.264594D+02
      3   0.104672D+02  0.434902D+02 -0.277950D+02 -0.100318D+02 -0.277828D+02
      4   0.222112D+00  0.573483D+02 -0.128726D+02 -0.525362D+01 -0.192759D+02
      5  -0.232457D+02  0.153868D+02 -0.576339D+01  0.254906D+02 -0.301026D+01
      6   0.363630D+01 -0.841716D+01  0.240395D+01 -0.471661D+01  0.135304D+01
                41            42            43            44            45 
      1  -0.133166D+02  0.118778D+01  0.543705D+01  0.245455D+01  0.345978D+02
      2   0.852990D+01  0.832758D+00  0.905127D+00  0.177662D+01 -0.169339D+02
      3   0.478670D+01 -0.202054D+01 -0.634218D+01 -0.423117D+01 -0.176639D+02
      4  -0.152434D+02  0.720390D+01 -0.128718D+01  0.654098D+01  0.172954D+02
      5   0.757738D+01  0.169142D+02  0.337292D+02  0.181461D+02  0.496104D+01
      6   0.610594D+00 -0.362844D+01 -0.256751D+01 -0.262550D+01 -0.498750D+01
                46            47            48            49            50 
      1   0.183904D+02 -0.330531D+02 -0.503384D+00 -0.492134D+02 -0.108618D+02
      2  -0.786040D+01  0.189506D+02 -0.610989D+01  0.270348D+02  0.104198D+02
      3  -0.105300D+02  0.141025D+02  0.661327D+01  0.221786D+02  0.442063D+00
      4  -0.357147D+02 -0.116270D+02  0.374944D+01 -0.192781D+02  0.168530D+02
      5   0.684372D+01  0.624312D+01 -0.412928D+02  0.528777D+01 -0.344067D+01
      6   0.643943D+01 -0.105691D+00 -0.104798D+02  0.179092D+01 -0.359456D+01
                51            52            53            54            55 
      1   0.734625D+00  0.115989D+02 -0.139058D+00 -0.564703D+02 -0.474039D+01
      2  -0.436250D+01 -0.153592D+02 -0.475313D+01  0.294898D+02 -0.103112D+02
      3   0.362788D+01  0.376029D+01  0.489219D+01  0.269804D+02  0.150516D+02
      4  -0.355198D+01  0.310927D+01 -0.465113D+01 -0.431996D+02  0.157800D+02
      5  -0.262121D+02 -0.736822D+02 -0.370643D+02  0.135958D+02  0.346527D+01
      6  -0.837243D+01 -0.206233D+02 -0.790447D+01  0.429537D+01 -0.404021D+01
                56            57            58            59            60 
      1   0.924873D+01 -0.243663D+02 -0.409532D+01 -0.175168D+01  0.694487D+01
      2  -0.105335D+02 -0.114097D+02 -0.268705D+01  0.963301D+01  0.209815D+01
      3   0.128479D+01  0.357760D+02  0.678237D+01 -0.788132D+01 -0.904302D+01
      4  -0.254138D+01 -0.516782D+00  0.573109D+01  0.393786D+01 -0.249803D+01
      5  -0.315494D-01  0.270369D+02 -0.894392D+00 -0.151841D+01  0.601452D+01
      6   0.289615D+01  0.810124D+01 -0.232122D+00  0.334786D+01 -0.942153D+01
                61            62            63            64            65 
      1   0.335499D+01 -0.168401D+02 -0.385979D+01 -0.619181D+00 -0.600962D+01
      2  -0.236340D+02  0.107166D+02 -0.299520D+02  0.618808D+01 -0.371326D+01
      3   0.202790D+02  0.612347D+01  0.338118D+02 -0.556890D+01  0.972288D+01
      4  -0.130726D+02  0.416308D+01  0.176120D+00 -0.464529D+00  0.104182D+02
      5   0.297285D+02 -0.529660D+00  0.325310D+02  0.567187D+01 -0.317157D+01
      6  -0.529210D+01 -0.562208D+01  0.105318D+01 -0.131929D+01 -0.558540D+00
                66            67            68            69            70 
      1   0.637131D+01 -0.705643D+01  0.808783D+01 -0.282469D+02 -0.194662D+01
      2  -0.760565D+01 -0.934092D+00 -0.199594D+02 -0.496455D+01 -0.519251D+01
      3   0.123434D+01  0.799052D+01  0.118716D+02  0.332115D+02  0.713913D+01
      4  -0.365146D+01  0.432572D+01  0.114448D+01  0.121010D+01 -0.461637D+01
      5   0.403439D+01 -0.472271D+00  0.116772D+01  0.203500D+02  0.314844D+01
      6   0.134822D+02  0.305819D+01  0.640602D+01  0.161874D+02  0.433444D+01
                71            72            73            74            75 
      1  -0.239413D+02 -0.221444D+02 -0.318607D+01 -0.365112D+01 -0.413235D+01
      2   0.129327D+02 -0.169919D+02  0.127094D+02 -0.892173D+01  0.158862D+01
      3   0.110087D+02  0.391363D+02 -0.952330D+01  0.125728D+02  0.254372D+01
      4   0.973902D+01  0.890204D+01 -0.948516D+01 -0.877998D+00  0.168905D+02
      5   0.777157D+01  0.232011D+02  0.596710D+01  0.134208D+02 -0.170396D+01
      6   0.164302D+02  0.211141D+02  0.126848D+02  0.644589D+01  0.372639D+01
                76            77            78            79            80 
      1   0.144693D+02 -0.378841D+02 -0.953140D+01  0.159580D+01  0.515676D+01
      2  -0.692028D+01  0.561125D+02 -0.191640D+01 -0.133993D+01  0.688001D+00
      3  -0.754902D+01 -0.182284D+02  0.114478D+02 -0.255870D+00 -0.584476D+01
      4   0.729880D+01  0.248860D+02  0.418444D+01  0.838018D+01  0.726027D+01
      5   0.123171D+01  0.550719D+01  0.495250D+01 -0.282224D+01  0.137504D+01
      6   0.233324D+01  0.225147D+02  0.112709D+02  0.568837D+01  0.945762D+01
                81            82            83            84            85 
      1  -0.961284D+01  0.893900D+01  0.189931D+02  0.245054D+00  0.139034D+02
      2   0.115405D+02 -0.148569D+02 -0.433615D+02 -0.688716D+01 -0.266965D+02
      3  -0.192766D+01  0.591791D+01  0.243683D+02  0.664211D+01  0.127931D+02
      4  -0.276742D+01 -0.116628D+01 -0.235768D+02 -0.137300D+02 -0.155095D+02
      5   0.564087D+01  0.482635D+00 -0.814371D+01 -0.485878D+01 -0.349800D+01
      6  -0.119705D+01 -0.170084D+02 -0.943362D+01  0.159727D+02 -0.331459D+01
                86            87            88            89            90 
      1   0.329920D+02  0.660280D+01 -0.231365D+01 -0.681271D+01  0.472153D+01
      2  -0.651209D+02 -0.128301D+02 -0.157597D+01  0.747355D+01 -0.508796D+01
      3   0.321289D+02  0.622726D+01  0.388962D+01 -0.660847D+00  0.366435D+00
      4  -0.404745D+02 -0.207417D+01 -0.835069D+01 -0.177027D+01  0.107117D+02
      5  -0.226128D+01 -0.147588D+00 -0.445409D+01  0.222484D+01  0.286468D+01
      6  -0.252961D+02 -0.470807D+01  0.182310D+02 -0.117023D+02  0.862559D+00
                91            92            93            94            95 
      1   0.835333D+01 -0.200264D+02  0.151124D+01 -0.142382D+02  0.351212D+02
      2  -0.133732D+02  0.431752D+02 -0.833062D+01  0.250786D+02 -0.648199D+02
      3   0.501987D+01 -0.231488D+02  0.681938D+01 -0.108403D+02  0.296987D+02
      4  -0.722728D+00 -0.212700D+02  0.135115D+02 -0.134469D+02  0.380685D+02
      5   0.121507D+01  0.794394D+01 -0.529618D+01  0.338478D+01 -0.293877D+01
      6   0.167406D+02 -0.101347D+02 -0.152855D+02 -0.451542D+01  0.269178D+02
                96            97            98            99           100 
      1  -0.761389D+01  0.100511D-01  0.592342D+01  0.436036D+01 -0.101802D+02
      2   0.143183D+02 -0.404210D+01 -0.616437D+01 -0.496525D+01  0.140911D+02
      3  -0.670437D+01  0.403205D+01  0.240949D+00  0.604884D+00 -0.391088D+01
      4  -0.338131D+01  0.767879D+01 -0.314598D+01 -0.106439D+02  0.157693D+02
      5   0.484149D+00 -0.481799D+01 -0.221864D+01  0.352045D+01  0.303778D+01
      6  -0.569029D+01 -0.176435D+02 -0.117083D+02 -0.748847D+00 -0.122712D+02
               101           102           103           104           105 
      1   0.543635D+01 -0.306070D+01 -0.992020D+01 -0.396682D+02  0.935962D+01
      2   0.803109D+01  0.265412D+01  0.528143D+01  0.551420D+02  0.875477D+00
      3  -0.134674D+02  0.406581D+00  0.463877D+01 -0.154738D+02 -0.102351D+02
      4  -0.363579D+01 -0.156473D+02  0.454420D+01 -0.198555D+02  0.414049D+01
      5  -0.120870D+02 -0.319185D+00  0.604305D-01  0.480870D+01 -0.333020D+01
      6   0.498862D+01 -0.404487D+01  0.880709D+00 -0.229343D+02  0.100031D+02
               106           107           108           109           110 
      1  -0.143650D+01 -0.345660D+01 -0.997814D+01  0.199290D+02 -0.121819D+02
      2   0.350400D+00 -0.144244D+01  0.862407D+01 -0.148434D+02 -0.146870D+02
      3   0.108610D+01  0.489903D+01  0.135407D+01 -0.508559D+01  0.268689D+02
      4  -0.751972D+01  0.699234D+01  0.240900D+01 -0.367610D+02  0.193803D+02
      5  -0.104800D+01 -0.138469D+01  0.451937D+01  0.469445D+01  0.487717D+01
      6  -0.578534D+01  0.984003D+01 -0.520788D+00  0.775182D+01  0.725942D+01
               111           112           113           114           115 
      1  -0.281731D+01 -0.476263D+02  0.130417D+02  0.753293D+01 -0.340016D+02
      2  -0.402351D+00  0.681589D+01 -0.147266D+02 -0.742107D+00  0.442675D+01
      3   0.321966D+01  0.408104D+02  0.168485D+01 -0.679082D+01  0.295749D+02
      4   0.825059D+01  0.253886D+02 -0.191624D+02 -0.251371D+01  0.116090D+02
      5   0.509613D+01 -0.261865D+01 -0.316184D+01 -0.335387D+00  0.145919D+02
      6   0.217222D+01 -0.155730D+01  0.223635D+01  0.657090D+01 -0.258982D+01
               116           117           118           119           120 
      1  -0.315815D+01  0.504472D+01  0.696053D+02  0.157227D+02  0.134722D+02
      2   0.117861D+02  0.891433D+00 -0.401965D+02 -0.153624D+02 -0.191819D+02
      3  -0.862794D+01 -0.593616D+01 -0.294088D+02 -0.360282D+00  0.570973D+01
      4  -0.146368D+02 -0.107399D+02  0.268301D+02  0.129650D+02  0.620463D+01
      5  -0.673339D+01 -0.534458D+01  0.373309D+02  0.649592D+01  0.190153D+02
      6   0.425637D+01  0.189123D+01  0.627648D+01  0.665468D+01  0.682989D+01
               121           122           123           124           125 
      1   0.425329D+02  0.571901D+01 -0.117507D+02  0.262998D+02 -0.108984D+02
      2  -0.727504D+01  0.760957D+01  0.701961D+01 -0.391718D+01  0.915259D+01
      3  -0.352579D+02 -0.133286D+02  0.473112D+01 -0.223826D+02  0.174584D+01
      4   0.313469D+01  0.143896D+02  0.654994D+01 -0.185858D+02  0.522133D+01
      5  -0.915533D+01  0.709228D+01  0.251250D+00  0.371313D+01  0.266743D+01
      6   0.847339D+01  0.107302D+01 -0.120947D+01 -0.282420D+01  0.426586D+00
               126           127           128           129           130 
      1  -0.488838D+01 -0.366307D+01 -0.117993D+02 -0.282996D+02  0.183854D+01
      2  -0.249426D+01 -0.516775D+01  0.119990D+02 -0.111846D+02  0.479984D+01
      3   0.738264D+01  0.883082D+01 -0.199693D+00  0.394842D+02 -0.663838D+01
      4   0.605087D+01 -0.227485D+02 -0.874554D+00 -0.293863D+00  0.424278D+01
      5   0.589309D+01  0.182545D+01 -0.730846D+00  0.212919D+02  0.174947D+01
      6  -0.622881D+01  0.261925D+01  0.196215D+01 -0.887513D+01  0.284385D+00
               131           132           133           134           135 
      1  -0.227413D+01 -0.525583D+01  0.910513D+01  0.169493D+02 -0.600757D+01
      2   0.944026D+01 -0.228461D+01 -0.285450D+02 -0.104625D+02 -0.314209D+02
      3  -0.716613D+01  0.754044D+01  0.194399D+02 -0.648682D+01  0.374285D+02
      4  -0.237281D+01 -0.154856D+01  0.115774D+02  0.277738D+01 -0.152639D+01
      5  -0.100151D+01 -0.747195D+01  0.292204D+02 -0.497982D+00  0.362832D+02
      6  -0.408613D+01 -0.953544D+01  0.430527D+01 -0.497549D+01 -0.227068D+01
               136           137           138           139           140 
      1  -0.184416D+01  0.563295D+01  0.870471D+01  0.485887D+01  0.106597D+02
      2   0.608933D+01  0.155940D+01 -0.734574D+01 -0.105357D+01 -0.200023D+02
      3  -0.424517D+01 -0.719235D+01 -0.135897D+01 -0.380530D+01  0.934262D+01
      4   0.232573D+01  0.104471D+02  0.386525D+01  0.885296D+01 -0.335301D+01
      5   0.535777D+01  0.289471D+01  0.279021D+01 -0.893658D+00  0.143302D+01
      6   0.972917D+00 -0.126079D+01 -0.109828D+02  0.385326D+01 -0.538446D+01
               141           142           143           144           145 
      1   0.292059D+02 -0.134911D+01  0.244776D+02 -0.222695D+02 -0.219188D+02
      2   0.718306D+01 -0.538532D+01 -0.130728D+02 -0.152929D+02  0.417041D+00
      3  -0.363889D+02  0.673444D+01 -0.114049D+02  0.375624D+02  0.215018D+02
      4   0.433498D+00  0.685759D+01  0.776189D+01 -0.655102D+01  0.258789D+02
      5  -0.167733D+02 -0.890959D-01 -0.647044D+01  0.209141D+02  0.141486D+01
      6   0.172113D+02 -0.337477D+01  0.161688D+02 -0.198992D+02 -0.282773D+00
               146           147           148           149           150 
      1   0.470979D+01  0.110291D+02  0.123561D+02 -0.204980D+02  0.711243D+01
      2   0.179438D+02 -0.596604D+01  0.205487D+02 -0.138937D+02 -0.444579D+01
      3  -0.226536D+02 -0.506310D+01 -0.329049D+02  0.343917D+02 -0.266664D+01
      4  -0.333720D+02  0.650346D+01 -0.598850D+02  0.510732D+02 -0.414221D+00
      5   0.109795D+02  0.375797D+01  0.121495D+02 -0.213885D+01  0.360610D+01
      6  -0.633670D+01 -0.798381D+01 -0.149735D-01  0.896437D+00 -0.695349D+01
               151           152           153           154           155 
      1   0.155687D+02  0.196709D+02  0.158232D+02 -0.559508D+01  0.230278D+02
      2  -0.139562D+02 -0.198419D+01 -0.754340D+01  0.488110D+01 -0.212726D+02
      3  -0.161245D+01 -0.176867D+02 -0.827980D+01  0.713980D+00 -0.175524D+01
      4   0.177953D+02 -0.113765D+02  0.712251D+01  0.295385D+02 -0.227697D+01
      5   0.238255D+01  0.928693D+01  0.454815D+01  0.315109D+02 -0.345772D+02
      6  -0.365461D+01 -0.889501D+01 -0.964659D+01 -0.111384D+02  0.309047D+01
               156           157           158           159           160 
      1   0.205115D+02  0.292461D+02  0.568483D+01 -0.416484D+02  0.160283D+02
      2  -0.104866D+02 -0.244397D+02  0.234015D+01  0.191214D+02 -0.728574D+01
      3  -0.100250D+02 -0.480632D+01 -0.802498D+01  0.225270D+02 -0.874253D+01
      4  -0.341390D+02 -0.352511D+01 -0.209099D+01  0.188759D+02 -0.413097D+02
      5  -0.226669D+02 -0.479418D+02  0.159629D+02 -0.217912D+00 -0.227367D+02
      6   0.923141D+01  0.690675D+01 -0.143554D+01 -0.561284D+01  0.110972D+02
               161           162           163           164           165 
      1  -0.367510D+02 -0.145286D+02 -0.564152D+02 -0.331873D+02 -0.516522D+01
      2   0.147051D+02  0.110171D+02  0.239476D+02  0.158050D+02  0.491538D+01
      3   0.220459D+02  0.351147D+01  0.324676D+02  0.173823D+02  0.249844D+00
      4   0.169387D+02 -0.148210D+01 -0.372376D+02 -0.209106D+02  0.320782D+02
      5  -0.164618D+01  0.194464D+02 -0.447489D+01  0.315681D+02  0.213582D+01
      6  -0.431647D+01 -0.131862D+01  0.819060D+01  0.695084D+00  0.293372D+01
               166           167           168           169           170 
      1  -0.517394D+02 -0.321617D+02  0.445532D+02 -0.226227D+01  0.441747D+02
      2   0.234819D+02  0.157942D+02 -0.221196D+02  0.221393D+01 -0.237035D+02
      3   0.282575D+02  0.163675D+02 -0.224335D+02  0.483386D-01 -0.204712D+02
      4  -0.391113D+02  0.347395D+01 -0.106950D+02  0.492077D+02 -0.793127D+01
      5   0.480884D+02 -0.109255D+02  0.220059D+02 -0.116910D+02  0.203252D+02
      6  -0.320891D+01  0.469905D+01 -0.316532D+01  0.408991D+01 -0.331597D+01
               171           172           173           174           175 
      1  -0.682682D+01 -0.206233D+02  0.420962D+01  0.348146D+01 -0.114289D+01
      2   0.325058D+01  0.137442D+02  0.102211D+01 -0.195568D+01 -0.342149D+01
      3   0.357625D+01  0.687903D+01 -0.523172D+01 -0.152578D+01  0.456438D+01
      4   0.194681D+02 -0.173668D+01 -0.662652D+01 -0.204673D+02 -0.224321D+02
      5  -0.739501D+01 -0.918516D+01 -0.208437D+02 -0.226707D+02 -0.275453D+02
      6   0.499117D+01 -0.607278D+01 -0.702128D+01 -0.730171D+01 -0.871345D+01
               176           177           178           179           180 
      1  -0.452623D+01 -0.217750D+02  0.136273D+02 -0.168327D+02 -0.956012D+01
      2  -0.433149D+01  0.177628D+02  0.235675D+01  0.198751D+02  0.833983D+01
      3   0.885772D+01  0.401223D+01 -0.159841D+02 -0.304237D+01  0.122029D+01
      4  -0.261081D+02 -0.136130D+01 -0.215496D+02  0.278094D+01 -0.288197D+02
      5  -0.118465D+01 -0.189330D+02 -0.322950D+02 -0.304683D+02 -0.327188D+02
      6  -0.276422D+01 -0.739041D+01 -0.156032D+02 -0.104170D+02 -0.148851D+02
               181           182           183           184           185 
      1  -0.654896D+02  0.107130D+01 -0.136969D+02  0.208658D+01  0.141113D+02
      2   0.464601D+02 -0.380603D+00  0.326318D+02 -0.386238D+00 -0.186668D+02
      3   0.190295D+02 -0.690696D+00 -0.189348D+02 -0.170034D+01  0.455553D+01
      4   0.157443D+01 -0.171217D+02  0.671108D+00 -0.127535D+02 -0.174652D+01
      5  -0.366575D+02  0.562928D+00 -0.397225D+02 -0.627475D+00 -0.640680D+01
      6   0.212441D+00 -0.638417D+00 -0.830826D+00 -0.903770D+01  0.763181D-01
               186           187           188           189           190 
      1  -0.978009D-01 -0.251485D+02  0.662755D+00  0.180806D+02  0.304729D+02
      2  -0.909290D+00  0.392377D+02 -0.297851D+00  0.222833D+02 -0.121090D+02
      3   0.100709D+01 -0.140892D+02 -0.364904D+00 -0.403639D+02 -0.183640D+02
      4  -0.400174D+01  0.212445D+01 -0.132836D+02 -0.411365D+00 -0.244195D+02
      5  -0.136251D+01 -0.251749D+02  0.542219D+00 -0.346715D+02 -0.137915D+02
      6  -0.215400D+02 -0.299381D+00 -0.910442D+01  0.103482D+00  0.114515D+02
               191           192           193           194           195 
      1  -0.427194D+00 -0.102637D+01 -0.187727D+01 -0.501691D+02 -0.183141D+02
      2  -0.623556D+01  0.222461D+01 -0.101271D+02  0.798386D+02  0.164072D+02
      3   0.666275D+01 -0.119823D+01  0.120044D+02 -0.296694D+02  0.190687D+01
      4   0.272631D+02  0.115126D+02  0.262944D+02 -0.295464D+02 -0.113374D+02
      5   0.112948D+02  0.204147D+02  0.354560D+01 -0.127720D+02 -0.716128D+01
      6  -0.546668D+01 -0.862134D+01 -0.925620D+01  0.351252D+02  0.327903D+02
               196           197           198           199           200 
      1   0.437968D+00 -0.197095D+02 -0.260667D+02  0.333281D+02 -0.103669D+01
      2   0.472619D+01  0.922831D+01 -0.234332D+01 -0.166020D+02  0.741629D+01
      3  -0.516416D+01  0.104812D+02  0.284100D+02 -0.167261D+02 -0.637961D+01
      4   0.813608D+01 -0.707666D+01 -0.136781D+02  0.221745D+02  0.246189D+02
      5   0.208019D+02 -0.133512D+02 -0.188818D+02 -0.168422D+02 -0.103961D+02
      6  -0.132717D+02  0.349308D+02  0.369743D+02 -0.106615D+02 -0.617712D+01
               201           202           203           204           205 
      1  -0.107985D+01 -0.242685D+01 -0.425396D+02  0.189146D+02  0.157284D+01
      2   0.408295D+01  0.113921D+02  0.651011D+02 -0.158332D+02  0.622185D+01
      3  -0.300310D+01 -0.896527D+01 -0.225614D+02 -0.308139D+01 -0.779469D+01
      4  -0.110749D+02  0.257638D+02  0.298213D+02 -0.136511D+02 -0.796900D+01
      5   0.244610D+02 -0.413582D+01 -0.149270D+02  0.880733D+01  0.246323D+02
      6   0.918388D+01 -0.113372D+02 -0.358916D+02  0.330396D+02  0.143242D+02
               206           207           208           209           210 
      1   0.213508D+02 -0.277164D+02 -0.790024D+01  0.635401D+01  0.187839D+02
      2  -0.977718D+01 -0.867333D+01 -0.779521D+01  0.136357D+01  0.100942D+02
      3  -0.115736D+02  0.363897D+02  0.156954D+02 -0.771758D+01 -0.288781D+02
      4  -0.844744D+01  0.146282D+02 -0.356096D+01  0.176226D+01  0.317818D+01
      5   0.141149D+02 -0.252293D+02 -0.105307D+02  0.307348D+01  0.112396D+02
      6   0.330439D+02 -0.386405D+02  0.842028D+01 -0.716514D+01 -0.139732D+02
               211           212           213           214           215 
      1   0.291062D+01 -0.342742D+01 -0.759382D+00  0.986319D+01 -0.219505D+01
      2  -0.104373D+01  0.481555D+00  0.279470D+01  0.481832D+01 -0.804635D+00
      3  -0.186688D+01  0.294587D+01 -0.203532D+01 -0.146815D+02  0.299968D+01
      4   0.122215D+01 -0.201628D+01 -0.127656D+01  0.143997D+01 -0.197115D+01
      5   0.260360D+01 -0.253314D+01 -0.362619D+01  0.825180D+01 -0.258541D+01
      6  -0.407698D+01  0.441052D+01  0.490813D+01 -0.521867D+01  0.458493D+01
               216           217           218           219           220 
      1  -0.167078D+02  0.378524D+00 -0.182686D+01  0.472315D+01  0.183411D+01
      2  -0.112180D+02 -0.305832D-01 -0.998632D+00  0.379234D+01  0.285270D+01
      3   0.279257D+02 -0.347941D+00  0.282550D+01 -0.851548D+01 -0.468681D+01
      4  -0.260087D+01 -0.214938D+01  0.171735D+01 -0.163470D+01  0.521982D+01
      5  -0.117173D+02  0.718774D+00 -0.256507D+01  0.106733D+01 -0.811893D+01
      6   0.755699D+01 -0.275701D+01  0.104267D+01  0.831893D+00  0.627015D+01
               221           222           223           224           225 
      1  -0.158530D+02  0.189743D+02  0.319734D+00  0.122107D+02 -0.208094D+02
      2   0.282860D+00  0.574146D+01 -0.563297D+00  0.248911D+01 -0.621118D+01
      3   0.155701D+02 -0.247157D+02  0.243563D+00 -0.146998D+02  0.270206D+02
      4  -0.106468D+02  0.108806D+02 -0.259097D+01  0.426179D+01 -0.608661D+01
      5   0.124077D+02 -0.168059D+02  0.285511D+01 -0.744088D+01  0.106091D+02
      6  -0.225728D+02  0.255891D+02 -0.235082D+01  0.158130D+02 -0.210028D+02
               226           227           228           229           230 
      1  -0.334441D+00  0.675394D+00 -0.715336D+01 -0.113186D+02 -0.569839D+01
      2  -0.222826D+01 -0.812993D+00  0.150331D+01  0.830571D+01  0.610459D+01
      3   0.256271D+01  0.137598D+00  0.565006D+01  0.301285D+01 -0.406203D+00
      4  -0.348897D+01 -0.119113D+01 -0.294046D+00 -0.638500D+00  0.510110D+01
      5  -0.226043D+01  0.185953D+01 -0.954425D+00  0.122048D+01 -0.325965D+01
      6  -0.671532D-01  0.105083D+01 -0.318060D+01 -0.488536D+00 -0.298343D+01
               231           232           233           234           235 
      1   0.126010D+01 -0.200800D+02  0.434733D+00 -0.138143D+02  0.509225D+00
      2  -0.507167D+01  0.107940D+02  0.101070D+00 -0.113992D+02  0.616461D+01
      3   0.381157D+01  0.928602D+01 -0.535803D+00  0.252135D+02 -0.667383D+01
      4  -0.416986D+01 -0.106993D+02 -0.649283D+01  0.397155D+01  0.861528D+01
      5  -0.335359D+01  0.118163D+02  0.602552D+01 -0.293672D+02 -0.137659D+00
      6   0.177110D+01  0.223104D+01  0.673816D+01 -0.160025D+02  0.277514D+00
               236           237           238           239           240 
      1   0.449345D+01  0.100846D+01  0.937301D+01 -0.249854D+02  0.880605D+00
      2   0.632912D+00 -0.992960D+00  0.585121D+01  0.537440D+02 -0.491682D+01
      3  -0.512636D+01 -0.155008D-01 -0.152242D+02 -0.287586D+02  0.403622D+01
      4   0.130482D+02 -0.469691D+00  0.238489D+02  0.596421D+02 -0.884247D+01
      5  -0.768455D+00 -0.419387D+00 -0.620208D+01 -0.516318D+01  0.467343D+01
      6  -0.130670D+01 -0.316085D+00 -0.461665D+01 -0.126571D+02  0.690280D+01
               241           242           243           244           245 
      1   0.118890D+01  0.170928D+00 -0.540285D+01  0.564108D+02  0.192184D+02
      2  -0.511711D+00  0.188084D+01  0.365107D+01 -0.331670D+02 -0.990908D+01
      3  -0.677190D+00 -0.205177D+01  0.175178D+01 -0.232438D+02 -0.930931D+01
      4   0.216431D+00  0.708686D+00  0.556995D+01  0.315706D+02  0.180218D+02
      5   0.171794D+01  0.601237D+01 -0.232521D+01 -0.435924D+02 -0.132903D+02
      6   0.141327D+01  0.765307D+01 -0.234655D+01 -0.100647D+02 -0.488858D+01
               246           247           248           249           250 
      1  -0.288642D+02  0.193607D+02  0.111831D+02 -0.652129D+01 -0.471582D+02
      2   0.194174D+02 -0.826618D+01 -0.494218D+01  0.295492D+01  0.337831D+02
      3   0.944672D+01 -0.110946D+02 -0.624092D+01  0.356637D+01  0.133751D+02
      4  -0.154639D+02  0.250679D+02  0.155778D+02 -0.161541D+02 -0.279278D+02
      5   0.331926D+02 -0.152605D+02 -0.154998D+02  0.153200D+02  0.596346D+02
      6   0.758970D+01 -0.801334D+01 -0.692551D+01  0.927995D+01  0.151517D+02
               251           252           253           254           255 
      1  -0.116298D+02  0.321595D+02  0.450697D+02  0.182408D+02  0.179479D+02
      2   0.788166D+01 -0.287095D+02 -0.203814D+02 -0.711229D+01 -0.805511D+01
      3   0.374816D+01 -0.345006D+01 -0.246883D+02 -0.111285D+02 -0.989277D+01
      4  -0.207155D+02  0.279185D+02  0.277255D+02  0.175647D+02  0.968374D+01
      5   0.245788D+02 -0.547556D+02  0.205435D+02  0.695236D+01  0.187407D+02
      6   0.103782D+02 -0.150957D+02  0.495744D+01  0.211461D+01  0.460827D+01
               256           257           258           259           260 
      1   0.233401D+02  0.125721D+02  0.481883D+01  0.420997D+02  0.129184D+02
      2  -0.773660D+01 -0.139519D+01  0.850239D+00 -0.186143D+02 -0.289741D+01
      3  -0.156035D+02 -0.111769D+02 -0.566907D+01 -0.234854D+02 -0.100209D+02
      4   0.252259D+02  0.189421D+02  0.130240D+02  0.252053D+02  0.229733D+02
      5   0.794345D+01  0.116565D+02  0.115655D+02  0.343470D+02  0.190753D+02
      6   0.399843D+01  0.515293D+01  0.606402D+01  0.101960D+02  0.648657D+01
               261           262           263           264           265 
      1   0.249526D+02 -0.164635D+02 -0.119675D+02 -0.989924D+01 -0.159104D+02
      2  -0.122621D+02  0.886111D+01  0.507109D+01  0.328039D+01  0.831157D+01
      3  -0.126904D+02  0.760238D+01  0.689638D+01  0.661885D+01  0.759886D+01
      4   0.224921D+02 -0.825440D+01 -0.248508D+01 -0.222023D+00  0.456901D+01
      5   0.313515D+02 -0.605178D+01 -0.500760D+00 -0.933221D+01  0.240310D+01
      6   0.906646D+01  0.426661D+01  0.891119D+00  0.294194D+01  0.151180D+01
               266           267           268           269           270 
      1  -0.377595D+01 -0.216891D+01 -0.152992D+02 -0.714579D+01 -0.148929D+02
      2   0.215834D+01  0.130572D+01  0.667656D+01  0.171778D+01 -0.203208D+01
      3   0.161761D+01  0.863194D+00  0.862264D+01  0.542800D+01  0.169249D+02
      4  -0.592594D+01 -0.705673D+01  0.735511D+00 -0.132133D+02 -0.114844D+02
      5  -0.698436D+01 -0.960376D+01  0.108550D+01 -0.125839D+02 -0.289142D+02
      6   0.444568D+01  0.683139D+01  0.635432D+00  0.754862D+01  0.106134D+02
               271           272           273           274           275 
      1   0.144296D+03 -0.432640D+02 -0.158936D+02 -0.406772D+02  0.264219D+02
      2  -0.698172D+02  0.186272D+02  0.880029D+01  0.151202D+02 -0.852723D+01
      3  -0.744784D+02  0.246368D+02  0.709329D+01  0.255570D+02 -0.178947D+02
      4  -0.591350D+02  0.323633D+02  0.617550D+01  0.390030D+02 -0.235902D+02
      5  -0.234050D+02  0.658110D+01  0.123173D+02  0.798869D+01 -0.485924D+01
      6   0.759624D+01 -0.407835D+01 -0.285530D+01 -0.464197D+01  0.288786D+01
               276           277           278           279           280 
      1   0.452322D+01 -0.416693D+01  0.101620D+01  0.113502D+02  0.691741D+02
      2  -0.228080D+01  0.312823D+01 -0.143479D+01 -0.663346D+01 -0.446564D+02
      3  -0.224242D+01  0.103870D+01  0.418582D+00 -0.471675D+01 -0.245177D+02
      4  -0.453714D+01  0.271648D+01 -0.169544D+01 -0.856682D+01 -0.189622D+02
      5  -0.656190D+01  0.171539D+02 -0.870920D+01 -0.450163D+01  0.533546D+02
      6   0.295243D+01 -0.385604D+01  0.298461D+01  0.194367D+01 -0.988936D+01
               281           282           283           284           285 
      1  -0.841119D+01  0.288954D+02  0.625869D+01  0.470519D+01  0.679968D-01
      2   0.497623D+01 -0.212990D+02 -0.681071D+01 -0.834093D+00 -0.281898D+01
      3   0.343496D+01 -0.759639D+01  0.552023D+00 -0.387110D+01  0.275098D+01
      4   0.102458D+02 -0.109711D+02  0.127916D+02 -0.791164D+01  0.775085D+01
      5  -0.103499D+02  0.397048D+02  0.184940D+00  0.889351D+01  0.294552D+01
      6   0.439799D+01 -0.833797D+01  0.435932D+01 -0.227341D+01  0.423894D+01
               286           287           288           289           290 
      1   0.475550D+02 -0.110393D+02  0.255257D+02 -0.163683D+01 -0.925383D+01
      2  -0.366928D+02  0.737993D+01 -0.283726D+02  0.264439D+01  0.640285D+01
      3  -0.108622D+02  0.365937D+01  0.284687D+01 -0.100756D+01  0.285098D+01
      4  -0.222213D+02  0.105681D+02 -0.130359D+02 -0.646122D+01  0.101756D+01
      5   0.591047D+02 -0.131178D+02  0.538581D+02  0.322322D+01  0.504555D-01
      6  -0.139089D+02  0.736046D+01 -0.118720D+02  0.150933D+00 -0.276739D+01
               291           292           293           294           295 
      1   0.314286D+01 -0.150190D+02 -0.152271D+02  0.212466D+01  0.114884D+01
      2  -0.200606D+01 -0.405494D+00  0.358920D+02 -0.337415D+01 -0.256343D+01
      3  -0.113680D+01  0.154245D+02 -0.206649D+02  0.124949D+01  0.141459D+01
      4   0.355981D+00  0.213407D+02 -0.552142D+02  0.737444D+01 -0.248868D+01
      5   0.344826D+01 -0.397478D+01  0.978077D+01 -0.750905D+01  0.109020D+02
      6  -0.900414D-02  0.388596D+01 -0.123802D+02  0.670963D+01 -0.207287D+01
               296           297           298           299           300 
      1  -0.223750D+00  0.323632D+01 -0.545993D+01 -0.237483D+02 -0.470715D+01
      2   0.171291D+01 -0.102390D+01  0.186166D+02  0.495905D+02  0.736197D+01
      3  -0.148916D+01 -0.221242D+01 -0.131567D+02 -0.258422D+02 -0.265482D+01
      4  -0.142311D+01 -0.525567D+01  0.226829D+02  0.352324D+02  0.795803D+01
      5  -0.547628D+01  0.294315D+01  0.492420D+01  0.546008D+01  0.488672D+01
      6   0.506890D+01 -0.239898D+01  0.973038D+01  0.164489D+02  0.636316D+01
               301           302           303           304           305 
      1  -0.122113D+02 -0.489344D+02 -0.861276D+01 -0.134007D+01 -0.368214D+01
      2   0.255840D+02  0.922201D+02  0.141358D+02  0.199200D+01  0.278979D+01
      3  -0.133727D+02 -0.432857D+02 -0.552301D+01 -0.651930D+00  0.892349D+00
      4   0.208961D+02  0.403421D+02  0.667426D+01  0.371868D+01  0.466881D+01
      5   0.323897D+01  0.554064D+01  0.225016D+01  0.430215D+01  0.382515D+01
      6   0.809924D+01  0.268038D+02  0.123748D+02  0.397736D+01  0.170097D+02
               306           307           308           309           310 
      1  -0.738539D+01 -0.330344D+00  0.785850D+01  0.495444D+01  0.300262D+01
      2   0.981164D+01  0.254567D+01 -0.845513D+01 -0.364272D+01 -0.351841D+01
      3  -0.242625D+01 -0.221533D+01  0.596626D+00 -0.131172D+01  0.515792D+00
      4   0.531438D+01 -0.148359D+02  0.114452D+02  0.959651D+01  0.659734D+01
      5   0.291175D+01 -0.768086D+01  0.494797D+01  0.592839D+01  0.162326D+01
      6   0.662135D+01  0.136967D+02 -0.109506D+02 -0.156656D+02 -0.480399D+01
               311           312           313           314           315 
      1  -0.823940D+01 -0.583861D+01  0.467216D+01 -0.111902D+02 -0.103987D+02
      2   0.124528D+02  0.832119D+01 -0.179984D+01  0.112383D+02  0.324835D+01
      3  -0.421338D+01 -0.248258D+01 -0.287232D+01 -0.481646D-01  0.715039D+01
      4  -0.485241D+01 -0.308921D+01  0.939554D+01 -0.475332D+01 -0.858082D+01
      5  -0.239821D+01 -0.206753D+01  0.602465D+01 -0.349662D+01 -0.591533D+01
      6   0.120761D+02  0.942690D+01 -0.123932D+02  0.161550D+02  0.212308D+02
               316           317           318           319           320 
      1  -0.156935D+00 -0.696961D+01  0.488393D+01 -0.238318D+01 -0.758746D+01
      2   0.212618D+01  0.726145D+01 -0.300425D+01  0.288169D+01  0.112801D+02
      3  -0.196924D+01 -0.291839D+00 -0.187968D+01 -0.498507D+00 -0.369268D+01
      4   0.149761D+02  0.111910D+02 -0.100988D+02  0.605641D+01  0.460688D+01
      5  -0.823756D+01 -0.531410D+01  0.671228D+01 -0.162287D+01 -0.243728D+01
      6  -0.139127D+02 -0.108322D+02  0.161878D+02 -0.449809D+01 -0.112600D+02
               321           322           323           324           325 
      1   0.542377D+01  0.473407D+01  0.103801D+02 -0.100184D+02 -0.550093D+01
      2  -0.785018D+01 -0.172689D+01 -0.101034D+02  0.243177D+01  0.173250D+02
      3   0.242641D+01 -0.300718D+01 -0.276681D+00  0.758663D+01 -0.118241D+02
      4  -0.301286D+01 -0.934003D+01 -0.507807D+01  0.887951D+01 -0.209821D+02
      5   0.202068D+01  0.648430D+01  0.385856D+01 -0.677335D+01  0.497475D+01
      6   0.884750D+01  0.124172D+02  0.156651D+02 -0.211490D+02 -0.985880D+01
               326           327           328           329           330 
      1   0.244802D+02 -0.523809D+01  0.117444D+02 -0.503063D+02  0.940613D+01
      2  -0.489381D+02  0.795522D+01 -0.237206D+02  0.921788D+02 -0.152347D+02
      3   0.244579D+02 -0.271713D+01  0.119762D+02 -0.418725D+02  0.582853D+01
      4   0.335492D+02 -0.824263D+01  0.194154D+02 -0.375353D+02  0.692713D+01
      5  -0.573586D+01  0.493657D+01 -0.347976D+01  0.565083D+01 -0.229600D+01
      6   0.173099D+02 -0.681738D+01  0.825587D+01 -0.286259D+02  0.130861D+02
               331           332           333           334           335 
      1  -0.172681D+01  0.493678D+01 -0.784344D+01 -0.753070D+01 -0.573596D+01
      2   0.249168D+01 -0.436913D+01  0.999850D+01 -0.808534D+01 -0.100548D+01
      3  -0.764878D+00 -0.567644D+00 -0.215506D+01  0.156160D+02  0.674144D+01
      4  -0.385350D+01  0.527614D+01 -0.515799D+01  0.399289D+01  0.210403D+01
      5   0.420916D+01 -0.376000D+01  0.294788D+01 -0.124495D+02 -0.327648D+01
      6  -0.395223D+01  0.174983D+02 -0.747330D+01 -0.821995D+01 -0.656276D+01
               336           337           338           339           340 
      1   0.174718D+02 -0.227857D+01 -0.261229D+01 -0.929155D-01  0.909188D+01
      2   0.104558D+02  0.122851D+01  0.107127D+00 -0.322643D+01  0.536587D+01
      3  -0.279275D+02  0.105006D+01  0.250516D+01  0.331935D+01 -0.144577D+02
      4  -0.340865D+01  0.174662D+01  0.202869D+01 -0.143316D+01 -0.186378D+01
      5   0.128184D+02 -0.218796D+01 -0.275744D+01  0.299851D+01  0.901544D+01
      6   0.127813D+02 -0.397650D+01 -0.381483D+01  0.424083D+01  0.488729D+01
               341           342           343           344           345 
      1   0.132889D+01 -0.146388D+02 -0.668526D+00  0.198881D+01  0.500135D+01
      2   0.788345D+00 -0.105314D+02  0.136914D+00  0.113679D+01  0.370308D+01
      3  -0.211724D+01  0.251702D+02  0.531612D+00 -0.312560D+01 -0.870444D+01
      4  -0.194878D+01  0.270665D+01  0.258746D+01  0.177562D+01  0.200012D+01
      5   0.259728D+01 -0.123246D+02  0.114700D+01  0.313505D+01  0.164313D+01
      6   0.408981D+01 -0.595990D+01  0.346388D+01  0.964302D+00 -0.899092D+00
               346           347           348           349           350 
      1  -0.114920D+01 -0.165138D+02 -0.197867D+02  0.292129D+00 -0.124705D+02
      2  -0.300926D+01  0.574580D+00 -0.556286D+01 -0.270786D+00 -0.192638D+01
      3   0.415846D+01  0.159392D+02  0.253496D+02 -0.213433D-01  0.143969D+02
      4   0.449123D+01  0.998842D+01  0.100658D+02  0.295137D+01  0.367062D+01
      5   0.761626D+01  0.113280D+02  0.159525D+02  0.258113D+01  0.706682D+01
      6   0.547490D+01  0.226359D+02  0.256520D+02  0.245475D+01  0.160350D+02
               351           352           353           354           355 
      1  -0.206835D+02  0.292513D+02 -0.137970D+02 -0.720415D+00 -0.189581D+02
      2  -0.524451D+01 -0.171398D+00 -0.840074D+01  0.165314D+01 -0.145154D+02
      3   0.259280D+02 -0.290799D+02  0.221977D+02 -0.932728D+00  0.334735D+02
      4   0.574286D+01 -0.391440D+02  0.370692D+02 -0.308365D+01  0.551081D+02
      5   0.877138D+01  0.508748D+00 -0.447640D+01  0.491893D+01  0.107614D+01
      6   0.208729D+02 -0.223507D+01  0.791981D+00 -0.896558D+00 -0.777685D+00
               356           357           358           359           360 
      1   0.517016D+01  0.292316D+01  0.907451D+01 -0.364104D+01 -0.307120D+01
      2   0.347574D+02 -0.323519D+01  0.217506D+01 -0.884966D+01  0.377622D+01
      3  -0.399275D+02  0.312027D+00 -0.112496D+02  0.124907D+02 -0.705016D+00
      4  -0.685631D+02  0.933536D+00 -0.186711D+02  0.198663D+02 -0.889709D+01
      5   0.430075D+01 -0.726566D+01  0.612849D+01 -0.960422D+01  0.481516D+01
      6  -0.108912D+01  0.632509D+01 -0.397611D+01  0.902497D+01 -0.274044D+01
               361           362           363           364           365 
      1  -0.136628D+02 -0.760421D+01 -0.833437D+01 -0.695663D+01 -0.691144D+01
      2   0.881745D+01  0.369823D+01  0.437211D+01  0.897319D+00  0.970278D+01
      3   0.484534D+01  0.390598D+01  0.396225D+01  0.605931D+01 -0.279134D+01
      4   0.178697D+01  0.253589D+01 -0.121415D+01  0.105325D+02 -0.125151D+02
      5  -0.374891D+00 -0.279068D+01 -0.188905D+01  0.626594D+00 -0.517118D+01
      6   0.274996D+01  0.433629D+01  0.561821D+01  0.924345D+00  0.850735D+01
               366           367           368           369           370 
      1  -0.734920D+01 -0.140123D+02 -0.142330D+02 -0.165842D+02  0.707687D+02
      2   0.566139D+01  0.933463D+01  0.668962D+01  0.255285D+01 -0.414915D+02
      3   0.168781D+01  0.467764D+01  0.754333D+01  0.140313D+02 -0.292772D+02
      4  -0.546636D+01  0.382366D+00 -0.594854D+01 -0.907396D+01 -0.366949D+02
      5  -0.509445D+01  0.493666D+01 -0.103501D+02 -0.172620D+02 -0.526169D+02
      6   0.905578D+01  0.253267D+00  0.135466D+02  0.186940D+02  0.121299D+02
               371           372           373           374           375 
      1  -0.209865D+02 -0.316119D+02 -0.283346D+02  0.133125D+02  0.146305D+02
      2   0.116732D+02  0.222144D+02  0.151706D+02 -0.560076D+01 -0.935132D+01
      3   0.931331D+01  0.939740D+01  0.131641D+02 -0.771171D+01 -0.527919D+01
      4   0.204909D+02  0.218922D+02  0.299979D+02 -0.241001D+02 -0.206008D+02
      5   0.207528D+02  0.378886D+02  0.282364D+02 -0.199309D+02 -0.202314D+02
      6  -0.639358D+01 -0.808241D+01 -0.109725D+02  0.906170D+01  0.103867D+02
               376           377           378           379           380 
      1  -0.279511D+02  0.994853D+01  0.216328D+02 -0.170567D+02  0.572675D+01
      2   0.226152D+02 -0.762283D+01 -0.207328D+02  0.734014D+01  0.406739D+00
      3   0.533586D+01 -0.232570D+01 -0.900045D+00  0.971654D+01 -0.613349D+01
      4   0.208915D+02 -0.135549D+02 -0.184982D+02  0.566667D+01 -0.435934D+01
      5   0.436292D+02 -0.169993D+02 -0.407432D+02 -0.470535D+01  0.300991D+01
      6  -0.106942D+02  0.825589D+01  0.104760D+02 -0.253319D+01  0.697589D+00
               381           382           383           384           385 
      1  -0.815841D+01  0.159008D+02 -0.883461D+01  0.104332D+02 -0.117651D+02
      2   0.120231D+01 -0.773616D+01  0.177574D+01  0.111832D+00  0.551761D+01
      3   0.695610D+01 -0.816460D+01  0.705888D+01 -0.105450D+02  0.624746D+01
      4   0.405858D+01 -0.198614D+01  0.140593D+02 -0.104123D+02  0.389131D+01
      5  -0.111817D+01  0.278801D+01 -0.918707D+01  0.159624D+02  0.667483D+01
      6  -0.868604D+00  0.928411D+00 -0.643506D+01  0.541892D+01 -0.220087D+01
               386           387           388           389           390 
      1   0.816810D+01 -0.792125D+01  0.124288D+03  0.394428D+02 -0.128634D+02
      2   0.473541D+00 -0.760515D+01 -0.590810D+02 -0.169927D+02  0.646416D+01
      3  -0.864164D+01  0.155264D+02 -0.652069D+02 -0.224501D+02  0.639925D+01
      4  -0.862888D+01  0.775870D+01  0.484510D+02  0.275902D+02 -0.798056D+01
      5   0.776257D+01 -0.239479D+02 -0.148575D+02 -0.724890D+01  0.127123D+02
      6   0.577742D+01 -0.451425D+01 -0.487139D+01 -0.158248D+01  0.158628D+01
               391           392           393           394           395 
      1   0.641662D+02  0.332312D+02 -0.100396D+02 -0.322945D+02 -0.139123D+02
      2  -0.269578D+02 -0.115749D+02  0.446911D+01  0.159088D+02  0.665158D+01
      3  -0.372084D+02 -0.216563D+02  0.557047D+01  0.163857D+02  0.726069D+01
      4   0.460506D+02  0.318283D+02 -0.433661D+01 -0.174043D+02 -0.758578D+01
      5  -0.119718D+02 -0.386124D+01  0.621271D+01  0.229319D+02  0.671283D+01
      6  -0.304670D+01 -0.276792D+01  0.303938D+01  0.426196D+01  0.370146D+01
               396           397           398           399           400 
      1   0.161525D+02  0.502699D+02 -0.123232D+02  0.179400D+02 -0.335749D+02
      2  -0.879642D+01 -0.262097D+02  0.607345D+01 -0.105402D+02  0.161891D+02
      3  -0.735611D+01 -0.240602D+02  0.624972D+01 -0.739981D+01  0.173858D+02
      4   0.687295D+01 -0.168403D+02  0.148075D+02 -0.105872D+02  0.317940D+02
      5  -0.100379D+02  0.233618D+02 -0.108356D+02  0.152764D+02 -0.244472D+02
      6  -0.244492D+01 -0.490390D+01  0.257100D+01 -0.285101D+01  0.644492D+01
               401           402           403           404           405 
      1   0.208143D+02 -0.176240D+02  0.359666D+02 -0.147358D+02  0.185348D+02
      2  -0.855934D+01  0.899163D+01 -0.222228D+02  0.938692D+01 -0.145061D+02
      3  -0.122550D+02  0.863239D+01 -0.137438D+02  0.534890D+01 -0.402873D+01
      4  -0.289911D+02  0.169082D+02 -0.200789D+02  0.154569D+02 -0.169383D+02
      5   0.170597D+02 -0.226301D+02  0.308492D+02 -0.169692D+02  0.331331D+02
      6  -0.662509D+01  0.642721D+01 -0.614808D+01  0.581358D+01 -0.638280D+01
               406           407           408           409           410 
      1  -0.154196D+01  0.476285D+01 -0.454076D+01  0.191618D+02 -0.488671D+01
      2   0.295242D+01 -0.282719D+01  0.309560D+01 -0.375107D+01  0.212796D+02
      3  -0.141046D+01 -0.193566D+01  0.144515D+01 -0.154107D+02 -0.163929D+02
      4   0.488351D+01  0.412420D+01 -0.112578D+01  0.212932D+02  0.385229D+02
      5  -0.488030D+01  0.339784D+00  0.202613D+01  0.510383D+01 -0.322884D+01
      6  -0.359432D+01 -0.120157D+01  0.102802D+01  0.280228D+01  0.176689D+00
               411           412           413           414           415 
      1   0.589686D+01 -0.246317D+02  0.390804D+01 -0.143142D+01  0.239808D+02
      2  -0.622239D+01  0.938376D+01 -0.977027D+01  0.315974D+01 -0.168012D+02
      3   0.325528D+00  0.152479D+02  0.586223D+01 -0.172833D+01 -0.717962D+01
      4  -0.359584D+01 -0.375078D+01 -0.143977D+02  0.938087D+01  0.175842D+02
      5   0.800635D+01  0.421958D+01  0.995759D+01 -0.402089D+01  0.282312D+02
      6   0.546952D+01  0.187735D+01  0.419451D+01 -0.130120D+01  0.959734D+01
               416           417           418           419           420 
      1   0.673413D+01  0.131874D+02  0.863974D+01  0.336658D+01  0.339731D+01
      2  -0.376984D+01 -0.940488D+01 -0.279208D+01  0.820468D-01 -0.190191D+01
      3  -0.296429D+01 -0.378250D+01 -0.584767D+01 -0.344862D+01 -0.149539D+01
      4   0.138342D+02  0.156431D+02  0.208052D+02  0.224833D+02  0.174670D+02
      5   0.157168D+02  0.255099D+02  0.168805D+02  0.184622D+02  0.173452D+02
      6   0.614279D+01  0.769819D+01  0.997561D+01  0.112965D+02  0.130925D+02
               421           422           423 
      1   0.237334D+02  0.551611D+01  0.573794D+01
      2  -0.197266D+02 -0.709115D+01 -0.166563D+02
      3  -0.400680D+01  0.157503D+01  0.109183D+02
      4   0.264483D+02  0.216609D+02  0.297769D+02
      5   0.426577D+02  0.309232D+02  0.555292D+02
      6   0.174876D+02  0.172269D+02  0.226947D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.950659D-01      0.241634D+00      0.806003D+00
   y          0.197034D+01      0.500811D+01      0.167053D+02
   z         -0.755367D-01     -0.191995D+00     -0.640427D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319824D+03      0.473930D+02      0.527318D+02
   yx        -0.323463D+00     -0.479322D-01     -0.533318D-01
   yy         0.257041D+03      0.380896D+02      0.423804D+02
   zx        -0.375546D+01     -0.556502D+00     -0.619192D+00
   zy         0.433822D+00      0.642858D-01      0.715276D-01
   zz         0.238012D+03      0.352698D+02      0.392430D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.291968D+03      0.432652D+02      0.481390D+02
   aniso      0.823735D+02      0.122065D+02      0.135816D+02
   xx         0.345503D+03      0.511983D+02      0.569658D+02
   yx        -0.485510D+00     -0.719451D-01     -0.800497D-01
   yy         0.275048D+03      0.407579D+02      0.453493D+02
   zx        -0.386161D+01     -0.572232D+00     -0.636694D+00
   zy         0.424123D+00      0.628485D-01      0.699284D-01
   zz         0.255353D+03      0.378395D+02      0.421021D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          5.41920543          0.90835898          3.19530028
     6          3.74078579         -1.03669411          1.98366581
     6          4.38065971         -2.25963263         -0.31893783
     6          6.77308246         -1.73927931         -1.73944987
     6          8.17329933          0.57034417         -0.68809535
     6          8.12769727          0.63979571          2.20102261
     6          2.53265495         -4.11075818         -0.80319070
     6          0.78329738         -4.08801053          1.22683945
     6          1.53577898         -2.21097528          2.97414634
     6          0.23953907         -1.55915500          5.40792479
     6         -0.63500686          1.21208633          5.43950717
     6         -1.70791481          2.01801258          2.94033269
     6         -3.86739375          1.00430799          1.70474081
     6         -4.28339442          2.41491700         -0.54744591
     6         -2.32914466          4.20079718         -0.76613201
     6         -0.74125147          3.96209848          1.37690641
     6         -5.71378764         -0.92845470          2.66037504
     6         -7.68242985         -1.61134608          0.64633035
     6         -8.67358715          0.73488494         -0.72106909
     6         -6.56100973          2.06765096         -2.19150140
    40          0.03752060         -0.01533496         -0.99027286
    17          2.60891457          2.40357237         -3.93919295
    17         -2.47708491         -2.46733642         -3.96283989
     1         -0.85882950         -5.28297289          1.40166138
     1          2.44531199         -5.32058238         -2.43836654
     1          4.75064823          2.82445750          2.80245467
     1          5.37745528          0.68818837          5.24846278
     1          9.27839831          2.20481236          2.89657267
     1          8.95882441         -1.09948132          2.95302419
     1          7.28899046          2.28487760         -1.41830676
     1         10.11990659          0.55864854         -1.37047733
     1          7.97811404         -3.41424112         -1.56976824
     1          6.38760761         -1.48502172         -3.74834535
     1          1.50138726         -1.91381917          7.00687072
     1         -1.37392749         -2.81467591          5.65579642
     1          0.95949075          2.43837510          5.88571333
     1         -2.02854452          1.49482544          6.93964160
     1          0.91838644          5.08024463          1.76504671
     1         -2.06700660          5.50795506         -2.30469338
     1         -6.66836425         -0.14484888          4.32502885
     1         -4.75753308         -2.63640368          3.30904097
     1         -9.23827626         -2.63448697          1.53485247
     1         -6.82728082         -2.88156193         -0.73671584
     1        -10.19214772          0.21214545         -2.01535844
     1         -9.48764246          2.04131203          0.66281174
     1         -6.07448576          0.94739993         -3.85485407
     1         -7.19894619          3.90852960         -2.87222168

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.197408D+01      0.501761D+01      0.167370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319872D+03      0.474002D+02      0.527398D+02
   yx        -0.281400D+00     -0.416992D-01     -0.463966D-01
   yy         0.237897D+03      0.352526D+02      0.392238D+02
   zx         0.279180D+01      0.413702D+00      0.460305D+00
   zy        -0.111942D+01     -0.165881D+00     -0.184567D+00
   zz         0.257109D+03      0.380996D+02      0.423915D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.291968D+03      0.432652D+02      0.481390D+02
   aniso      0.823735D+02      0.122065D+02      0.135816D+02
   xx         0.345540D+03      0.512037D+02      0.569718D+02
   yx        -0.585627D+00     -0.867810D-01     -0.965568D-01
   yy         0.255247D+03      0.378237D+02      0.420846D+02
   zx         0.300298D+01      0.444996D+00      0.495125D+00
   zy        -0.114039D+01     -0.168989D+00     -0.188026D+00
   zz         0.275118D+03      0.407682D+02      0.453608D+02

 ----------------------------------------------------------------------
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 EVERY WORD THAT YOU WRITE IS A BLOW THAT SMITES THE DEVIL.
     -- ST. BERNARD OF CLAIRVAUX
 Job cpu time:       7 days  1 hours 17 minutes  9.6 seconds.
 Elapsed time:       0 days 10 hours 35 minutes 31.7 seconds.
 File lengths (MBytes):  RWF=   2204 Int=      0 D2E=      0 Chk=     53 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 05:58:05 2021.
